SCHEMBL7929345

SCHEMBL7929345

COCOc1ccc(C=CI)c(-c2ccc(C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.39
HDAC8 Q9BY41 8/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 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
SCHEMBL7929341 1.00 FYN (0.39) FYNHDAC8HDAC3HDAC1NCOR2
SCHEMBL7931938 0.89 FYN (0.39) FYNMAOBKDM1ASMN1; SMN2BACE1
SCHEMBL7931935 0.89 FYN (0.39) FYNMAOBKDM1ASMN1; SMN2BACE1
SCHEMBL7922695 0.83 FYN (0.40) FYNHDAC8HDAC3HDAC1MAOB
SCHEMBL7929362 0.79 FYN (0.38) FYNHDAC8HDAC3HDAC1NCOR2
SCHEMBL7929366 0.79 FYN (0.38) FYNHDAC8HDAC3HDAC1NCOR2
SCHEMBL6473343 0.78 FYN (0.37) FYNMAOBKDM1AADORA3ADORA1
SCHEMBL6473730 0.78 FYN (0.37) FYNMAOBKDM1AADORA3ADORA1
SCHEMBL7935315 0.77 GRM2 (0.36) HDAC8HDAC3HDAC1NCOR2MAOB
SCHEMBL7935321 0.77 GRM2 (0.36) HDAC8HDAC3HDAC1NCOR2MAOB

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