SCHEMBL6140573

SCHEMBL6140573

CCOC(=O)c1ccc(C2=C(Br)CCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
SPR P35270 1/20 0.39
P2RY12 Q9H244 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CYP19A1 P11511 2/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL5621253 0.81 JMJD6 (0.54) CA12CA1CA2CA7CA9
SCHEMBL29800427 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL811649 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5621506 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4154876 0.76 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12002570 0.76 TP53 (0.60) CA12CA1CA2CA7CA9
SCHEMBL5620438 0.75 KDM4E (0.40) CYP1A2NPC1RAB9ATP53MAPT
SCHEMBL4159253 0.75 MAPT (0.41) LMNACYP1A2NPC1RAB9ACASP3
SCHEMBL18104381 0.75 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4148470 0.75 PTGER1 (0.43) CYP3A4MAPTKDM4E

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-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 WO disclosed