SCHEMBL8608690

SCHEMBL8608690

C=C(O)COCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 1/20 0.31

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
Glycerin SCHEMBL9375394 0.85 LMNA (0.47) USP2LMNAALDH1A1THRB
Benzene SCHEMBL502623 0.79 USP2 (0.46) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL1133506 0.79 USP2 (0.44) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691114 0.79 USP2 (0.39) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL867032 0.79 TET2 (0.38) USP2LMNAALDH1A1CYP1A2KDM4E
Water SCHEMBL10629812 0.77 TET2 (0.36) USP2LMNAALDH1A1KDM4EMEN1
Ethylene SCHEMBL15065635 0.76 USP2 (0.48) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL4332298 0.76 USP2 (0.41) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL30754 0.76 LMNA (0.53) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL1638881 0.76 LMNA (0.53) USP2LMNAALDH1A1CYP1A2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380409-B1 Process for the preparation of non-ionic surface-active agents from isopropylidene-1,2 epoxypropyl-3 glycerol and from hydroxylated compounds, non-ionic surface-active agents and use of same OREAL (FR) 1994-06-01 EP claimed
WO-1998023245-A2 PRESERVATIVE CONTAINING 1,6-HEXANEDIOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-06-04 WO disclosed
US-5539001-A SYNERGISTIC MIXTURE OF DIOLS, PRESERVATIVES FOR COSMETICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-07-23 US disclosed
EP-0244249-B1 Process for the removal of hydrogen sulfide from gaseous streams DOW CHEMICAL CO (US) 1995-09-20 EP disclosed
EP-0597903-A1 MIXTURES WITH AN ANTIMICROBIAL ACTION Henkel Kommanditgesellschaft auf Aktien (DE) 1994-05-25 EP disclosed
WO-1993001714-A1 MIXTURES WITH AN ANTIMICROBIAL ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-02-04 WO disclosed
EP-0283165-B1 SKIN CONDITIONING COMPOSITION AND METHOD THE PROCTER & GAMBLE COMPANY (US) 1992-10-28 EP disclosed
US-4976953-A WITH NONGREASY, NONTACKY FEEL THE PROCTER & GAMBLE COMPANY (US) 1990-12-11 US disclosed
EP-0283165-A2 Skin conditioning composition and method THE PROCTER & GAMBLE COMPANY (US) 1988-09-21 EP disclosed
EP-0244249-A2 Process for the removal of hydrogen sulfide from gaseous streams THE DOW CHEMICAL COMPANY (US) 1987-11-04 EP disclosed