SCHEMBL3380218

SCHEMBL3380218

C=CCc1cccc(O[CH]C(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 4/20 0.39
PTGS1 P23219 2/20 0.39
ALOX5 P09917 1/20 0.39
AR P10275 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7558438 0.79 PTGS2 (0.43) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2091147 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP3A4PTGS1ALOX5
SCHEMBL29382328 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP3A4PTGS1ALOX5
SCHEMBL27967716 0.75 PTGS2 (0.45) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8088794 0.75 PTGS2 (0.54) PTGS2ALDH1A1MEN1KMT2AGAA
SCHEMBL8406148 0.75 ALDH1A1 (0.44) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3380222 0.74 ALDH1A1 (0.43) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6035001 0.74 ACHE (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
Bromide SCHEMBL28224569 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP3A4PTGS1ALOX5
SCHEMBL2091144 0.73 ALDH1A1 (0.43) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060121284-A1 Increasing and maintaining the hydrophilic nature of an oxidized plastic surface HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-08 US claimed
US-20030150524-A1 Method for providing metal surfaces with protection against corrosion HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-08-14 US claimed
EP-1266047-A1 METHOD FOR PROVIDING METAL SURFACES WITH PROTECTION AGAINST CORROSION Henkel Kommanditgesellschaft auf Aktien (DE) 2002-12-18 EP claimed
US-20020011281-A1 ZINC PHOSPHATING WITH INTEGRATED SUBSEQUENT PASSIVATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2002-01-31 US claimed
WO-2001066827-A1 METHOD FOR PROVIDING METAL SURFACES WITH PROTECTION AGAINST CORROSION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-09-13 WO claimed
EP-0958402-A1 ZINC PHOSPHATING WITH INTEGRATED SUBSEQUENT PASSIVATION Henkel Kommanditgesellschaft auf Aktien (DE) 1999-11-24 EP claimed
WO-1997045568-A1 ZINC PHOSPHATING WITH INTEGRATED SUBSEQUENT PASSIVATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-04 WO claimed
EP-0507871-B1 RINSE AID FOR PLASTIC AND PAINTED SURFACES HENKEL CORP (US) 1996-08-14 EP claimed
EP-0319016-B1 Treatment and after-treatment of metal with polyphenol compounds HENKEL CORP (US) 1994-06-22 EP claimed
EP-0319017-B1 Treatment and after-treatment of metal with carbohydrate-modified polyphenol compounds HENKEL CORP (US) 1994-04-13 EP claimed
US-5266410-A Treatment and after-treatment of metal with polyphenol compounds HENKEL CORPORATION (US) 1993-11-30 US claimed
EP-0507871-A1 RINSE AID FOR PLASTIC AND PAINTED SURFACES. HENKEL CORP (US) 1992-10-14 EP claimed
US-5116912-A Protective or decorative surface treatment of metal or plastic articles HENKEL CORPORATION (US) 1992-05-26 US claimed
US-5068299-A Monomers for polymers containing vinylphenols for protective coatings or decoration HENKEL CORPORATION (US) 1991-11-26 US claimed
US-5063089-A Hydroxylamine or amine oxide containing polyphenolic compounds and uses thereof HENKEL CORPORATION (US) 1991-11-05 US claimed
US-5039770-A Treatment and after-treatment of metal with polyphenol compounds HENKEL CORPORATION (US) 1991-08-13 US claimed
WO-1991009904-A2 RINSE AID FOR PLASTIC AND PAINTED SURFACES HENKEL CORPORATION (US) 1991-07-11 WO claimed
EP-0319018-A2 Treatment and after-treatment of metal with amine oxide-containing polyphenol compounds HENKEL CORPORATION (a Delaware corp.) (US) 1989-06-07 EP claimed
EP-0319017-A2 Treatment and after-treatment of metal with carbohydrate-modified polyphenol compounds HENKEL CORPORATION (a Delaware corp.) (US) 1989-06-07 EP claimed
EP-0319016-A2 Treatment and after-treatment of metal with polyphenol compounds HENKEL CORPORATION (a Delaware corp.) (US) 1989-06-07 EP claimed