SCHEMBL9725168

SCHEMBL9725168

CCCCc1ccccc1/C=C\C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.49
IAPP P10997 3/20 0.46
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGER3 P43115 5/20 0.44
PTGER2 P43116 5/20 0.44
PTGER4 P35408 4/20 0.44
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL1542126 0.87 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL8702148 0.87 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL7530108 0.87 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL9788952 0.86 PTGER3 (0.43) IAPPPTGER3PTGER2PTGER4RAB9A
SCHEMBL12075162 0.84 LMNA (0.61) LMNAMAPTKDM4EIAPPGLA
Alcohol SCHEMBL17474327 0.84 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL2989498 0.83 MAPT (0.52) LMNAMAPTKDM4EPTGER3PTGER2
SCHEMBL2855099 0.83 GSR (0.53) IAPPPTGER3PTGER2PTGER4RAB9A
SCHEMBL16339260 0.83 PTGER3 (0.55) MAPTKDM4EPTGER3PTGER2PTGER4
SCHEMBL16339259 0.83 PTGER3 (0.55) MAPTKDM4EPTGER3PTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489778-A1 ANTI-INFLAMMATORY ACTIVE INGREDIENTS FOR COSMETIC PREPARATIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-17 EP disclosed
WO-1991003232-A1 ANTI-INFLAMMATORY ACTIVE INGREDIENTS FOR COSMETIC PREPARATIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-21 WO disclosed
WO-1991002514-A1 ANTI-INFLAMMATORY ACTIVE SUBSTANCES FOR COSMETIC COMPOSITIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-07 WO disclosed
WO-1991002515-A1 ANTI-INFLAMMATORY SUBSTANCES FOR COSMETIC PREPARATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-07 WO disclosed
EP-0370282-A2 Anti-inflammatory compounds for cosmetic preparations Henkel Kommanditgesellschaft auf Aktien (DE) 1990-05-30 EP disclosed
WO-1990004958-A1 ANTI-INFLAMMATORY ACTIVE INGREDIENTS FOR COSMETIC PREPARATIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-05-17 WO disclosed
US-4136165-A SUNSCREEN AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-01-23 US disclosed