SCHEMBL790991

SCHEMBL790991

c1ccc(C2CC3CCC2(c2ccccc2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.46
MAOA P21397 16/20 0.46
MAOB P27338 16/20 0.46
KDM4A O75164 3/20 0.37
KDM4B O94953 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALOX5AP P20292 1/20 0.37

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
SCHEMBL2002653 0.79 ESR2 (0.42) ALOX5AP
SCHEMBL28298445 0.79 ALDH1A1 (0.44)
SCHEMBL18642602 0.76 MAOB (0.47) KDM1AMAOAMAOBKDM4AKDM4B
SCHEMBL27917474 0.72 MAOB (0.47) MAOAMAOBKDM4AKDM4BKDM4C
SCHEMBL675029 0.71 ESR2 (0.54) ALOX5AP
SCHEMBL6544375 0.70 KDM1A (0.47) KDM1AMAOAMAOB
SCHEMBL10388101 0.70 KDM4A (0.42) MAOAMAOBKDM4AKDM4BKDM4C
SCHEMBL1459227 0.69 KDM1A (0.37) KDM1AMAOAMAOBALOX5AP
SCHEMBL1458849 0.69 TACR1 (0.35) KDM1AMAOAMAOBKDM4AKDM4B
SCHEMBL28574683 0.69 KDM1A (0.50) KDM1AMAOAMAOB

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-2616493-A1 POLYMERISATION METHOD University College Cardiff Consultants, Ltd. (GB) 2013-07-24 EP disclosed
WO-2012035327-A1 POLYMERISATION METHOD UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-22 WO disclosed