SCHEMBL30152298

SCHEMBL30152298

COc1ccc(Br)c(CCCO)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.46
ERN1 O75460 1/20 0.46
ALOX5 P09917 7/20 0.40
AMY1A P0DUB6 3/20 0.38
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19718016 1.00 TNKS2 (0.46) TNKS2ERN1ALOX5AMY1APTGS2
SCHEMBL31482703 0.82 ERN1 (0.51) ERN1ALOX5AMY1APTGS2KDM4E
SCHEMBL2171643 0.82 ERN1 (0.51) ERN1ALOX5AMY1APTGS2KDM4E
SCHEMBL1619127 0.80 TNKS2 (0.46) TNKS2ALOX5PTGS2KDM4EMAPT
SCHEMBL19828676 0.79 TNKS2 (0.53) TNKS2ERN1ALOX5PTGS2ALOX15
SCHEMBL19125408 0.75 CYP4A11 (0.45) TNKS2KDM4EMAPTHPGDALDH1A1
SCHEMBL22438980 0.75 ERN1 (0.42) ERN1ALOX5AMY1APTGS2KDM4E
SCHEMBL30601513 0.75 ERN1 (0.42) ERN1ALOX5AMY1APTGS2KDM4E
SCHEMBL31441189 0.75 CYP4A11 (0.45) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL5722870 0.75 ERN1 (0.47) ERN1ALOX5AMY1APTGS2KDM4E

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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed