SCHEMBL7935342

SCHEMBL7935342

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
GRM2 Q14416 1/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
ALOX5 P09917 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32

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
SCHEMBL7935338 1.00 MAOB (0.34) MAOBADORA3GRM2MEN1NPC1
SCHEMBL7935315 0.85 GRM2 (0.36) MAOBADORA3GRM2MEN1NPC1
SCHEMBL7935321 0.85 GRM2 (0.36) MAOBADORA3GRM2MEN1NPC1
SCHEMBL7931959 0.81 NFE2L2 (0.38) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL7931961 0.81 NFE2L2 (0.38) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL7931935 0.77 FYN (0.39) MAOBHPGDSMN1; SMN2KDM1ABACE1
SCHEMBL7931938 0.77 FYN (0.39) MAOBHPGDSMN1; SMN2KDM1ABACE1
SCHEMBL7935346 0.76 SRC (0.44) MAOBADORA3GRM2MEN1NPC1
SCHEMBL14946859 0.72 ALOX5 (0.34) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL13089999 0.71 PDE5A (0.39) KDM4EMAPTPTGS2PTGS1ALOX5

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