SCHEMBL6971911

SCHEMBL6971911

CCCCC[CH]OC(=O)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
PLA2G10 O15496 1/20 0.39
EPHX2 P34913 5/20 0.38
FAAH O00519 2/20 0.38
TSHR P16473 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
CETP P11597 2/20 0.36

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
SCHEMBL6971147 0.95 PTGS2 (0.37) SOAT2SOAT1PLA2G10TSHRCES2
SCHEMBL6962138 0.89 KCNH2 (0.38) ALDH1A1LMNACETP
SCHEMBL6967901 0.82 FFAR1 (0.37) ALDH1A1LMNA
SCHEMBL5002852 0.76 LMNA (0.50) SOAT2SOAT1TSHRCES2CES1
SCHEMBL21693932 0.75 CES2 (0.49) SOAT2SOAT1EPHX2FAAHTSHR
SCHEMBL6962294 0.73 FFAR1 (0.41) TSHRTP53MAPK1ALDH1A1HTT
SCHEMBL6965956 0.73 EP300 (0.38) SOAT1FAAHTSHRTP53CYP3A4
SCHEMBL8923210 0.73 SOAT2 (0.59) SOAT2SOAT1EPHX2FAAHTSHR
SCHEMBL21693912 0.73 MEN1 (0.49) EPHX2FAAHTSHRMAPK1ALDH1A1
SCHEMBL28754558 0.73 EP300 (0.49) SOAT2SOAT1PLA2G10EPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed