SCHEMBL4434804

SCHEMBL4434804

CCc1cccc(-c2cccc(C(N)=O)c2)c1CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
PARP1 P09874 6/20 0.45
FOLH1 Q04609 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PRKCI P41743 1/20 0.43
BRD4 O60885 2/20 0.43
CREBBP Q92793 1/20 0.43
FYN P06241 1/20 0.41
ERN1 O75460 1/20 0.41
PDK2 Q15119 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TTK P33981 1/20 0.40
MAPK8 P45983 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4439627 0.88 BAZ2B (0.52) BAZ2BBAZ2APARP1FOLH1AKR1C3
SCHEMBL4444938 0.84 MKNK1 (0.49) PARP1FOLH1CREBBP
SCHEMBL27349513 0.78 BAZ2B (0.50) BAZ2BBAZ2APARP1FOLH1PRKCI
SCHEMBL3636122 0.78 NR1H4 (0.56) BAZ2BBAZ2APARP1PRKCIBRD4
Bicarbonate SCHEMBL28365018 0.77 FOLH1 (0.50) FOLH1RAB9A
SCHEMBL27525542 0.77 BAZ2B (0.48) BAZ2BBAZ2APARP1FOLH1PRKCI
Acetic Acid SCHEMBL28455812 0.76 FOLH1 (0.49) FOLH1
SCHEMBL5307077 0.75 PARP1 (0.56) BAZ2BBAZ2APARP1PRKCIFYN
SCHEMBL473270 0.75 PDCD1 (0.50) FOLH1
SCHEMBL172981 0.74 BCL2 (0.61) PARP1ERN1

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