SCHEMBL6233678

SCHEMBL6233678

CCCc1c(Cl)ccc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CFTR P13569 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PRKCI P41743 1/20 0.38
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
TYR P14679 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PIK3CA P42336 1/20 0.34
F2RL1 P55085 2/20 0.34
PGAM1 P18669 1/20 0.33

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
SCHEMBL6232725 0.88 HPGD (0.46) CFTRMAPK1TYRKDM4EALDH1A1
SCHEMBL27868081 0.85 CNR1 (0.41) CNR1CNR2CFTRCYP3A4MAPK1
SCHEMBL28985928 0.85 CYP3A4 (0.50) CNR1CNR2CFTRCYP3A4MAPK1
SCHEMBL7693914 0.79 CYP3A4 (0.48) CNR1CNR2CFTRCYP3A4MAPK1
SCHEMBL875815 0.78 CNR1 (0.38) CNR1CNR2CFTRCYP3A4MAPK1
SCHEMBL5681133 0.77 NOS2 (0.41) CNR1CNR2MAPK1PRKCITYR
SCHEMBL5588615 0.77 PRKCI (0.52) CNR1CNR2CYP3A4PRKCIALOX15
SCHEMBL10636626 0.75 TSHR (0.46) CFTRALDH1A1F2RL1
SCHEMBL6232640 0.75 CNR1 (0.39) CNR1CNR2PRKCIALOX15TYR
SCHEMBL21815106 0.75 PRKCI (0.46) CNR1CNR2CYP3A4PRKCIALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed