SCHEMBL4439627

SCHEMBL4439627

CCc1ccccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.52
BAZ2A Q9UIF9 1/20 0.52
PARP1 P09874 6/20 0.47
FOLH1 Q04609 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PDK2 Q15119 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
PRKCI P41743 1/20 0.45
BRD4 O60885 2/20 0.44
CREBBP Q92793 1/20 0.44
DHODH Q02127 1/20 0.44
PLA2G2A P14555 1/20 0.44
GRM5 P41594 1/20 0.43
ERN1 O75460 1/20 0.43

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
SCHEMBL4434804 0.88 BAZ2B (0.47) BAZ2BBAZ2APARP1FOLH1AKR1C3
SCHEMBL27349513 0.87 BAZ2B (0.50) BAZ2BBAZ2APARP1FOLH1PDK2
SCHEMBL26365859 0.85 FOLH1 (0.62) FOLH1NPC1RAB9APTGER1PTGER4
SCHEMBL27525542 0.85 BAZ2B (0.48) BAZ2BBAZ2APARP1FOLH1PDK2
SCHEMBL4530811 0.81 MKNK1 (0.53) PARP1NPC1RAB9APLA2G2A
SCHEMBL23479783 0.81 HDAC8 (0.50) FOLH1PDK2BRD4CREBBP
SCHEMBL5307077 0.81 PARP1 (0.56) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL11647426 0.80 PTGER1 (0.53) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3636122 0.80 NR1H4 (0.56) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL4444932 0.80 CSNK2A2 (0.46) BAZ2BBAZ2APARP1PDK2NPC1

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-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed