SCHEMBL7935346

SCHEMBL7935346

Cc1ccc(-c2ccc(C)cc2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.44
ERN1 O75460 2/20 0.43
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 4/20 0.40
MAOB P27338 2/20 0.40
XDH P47989 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 1/20 0.38
DUSP3 P51452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 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
SCHEMBL4851358 0.88 PSMB5 (0.46) SRCERN1ALDH1A1MAOBRAB9A
SCHEMBL17917220 0.85 CYP2A6 (0.46) SRCERN1CYP2A6ALDH1A1MAOB
SCHEMBL12060815 0.85 CYP46A1 (0.50) SRCERN1ALDH1A1RAB9AKDM4E
SCHEMBL6477979 0.85 MAOB (0.45) ERN1MAOBMAOA
SCHEMBL7930590 0.83 ALDH1A1 (0.43) SRCERN1CYP2A6ALDH1A1MAOB
SCHEMBL30405426 0.82 MAOB (0.44) SRCERN1ALDH1A1MAOBRAB9A
SCHEMBL28988466 0.82 MAOB (0.44) SRCERN1ALDH1A1MAOBRAB9A
SCHEMBL816 0.79 XDH (0.51) CYP2A6ALDH1A1XDHRAB9ASMN1; SMN2
SCHEMBL12203737 0.76 SRC (0.42) SRCERN1CYP2A6ALDH1A1MAOB
SCHEMBL7935338 0.76 MAOB (0.34) SRCALDH1A1MAOBADORA3RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed