SCHEMBL8907172

SCHEMBL8907172

CSC1(SC)CCOc2ccc(C(=O)CBr)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.41
RARA P10276 4/20 0.40
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
CTNNB1 P35222 5/20 0.39
WNT3A P56704 3/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL8109801 0.86 CYP26A1 (0.46) ATMHPGDRARARARBRARG
SCHEMBL4421853 0.84 KDM4E (0.50) ATMRARARARBRARGCYP26A1
SCHEMBL8101913 0.84 RARB (0.53) RARARARBRARGCYP26A1CYP26B1
SCHEMBL12465802 0.83 RARA (0.56) ATMHPGDRARARARBRARG
SCHEMBL27557340 0.80 RARB (0.45) ATMRARARARBRARGCYP26A1
SCHEMBL28971883 0.79 CYP26A1 (0.41) ATMHPGDRARARARBRARG
SCHEMBL6146444 0.75 CYP26A1 (0.50) HPGDRARARARBRARGCYP26A1
SCHEMBL4945442 0.75 RARA (0.38) ATMRARARARBRARGCYP26A1
SCHEMBL4373634 0.75 LMNA (0.42)
SCHEMBL9817651 0.74 RARB (0.53) RARARARBRARGCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed
EP-0514264-B1 Biaromatic compounds derived from compounds having a salicylic configuration, their preparation process and their use in human and veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1995-11-15 EP disclosed
WO-1992020643-A1 NOVEL BI-AROMATIC COMPOUNDS DERIVED FROM A SALICILIC PATTERN, METHOD OF PREPARATION AND USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-26 WO disclosed
EP-0514264-A1 Biaromatic compounds derived from compounds having a salicylic configuration, their preparation process and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1992-11-19 EP disclosed