SCHEMBL6877448

SCHEMBL6877448

COc1ccc(-c2csc(/C=C/C(=O)O)c2)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.51
RARB P10826 2/20 0.51
RARG P13631 2/20 0.51
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.39
SNCA P37840 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL6877452 1.00 RARA (0.51) RARARARBRARGALDH1A1KDM4E
SCHEMBL6879412 0.85 FDPS (0.46) RARARARBRARGALDH1A1KDM4E
SCHEMBL6879410 0.85 FDPS (0.46) RARARARBRARGALDH1A1KDM4E
SCHEMBL6876542 0.83 MAPK1 (0.50) RARARARBRARGALDH1A1KDM4E
SCHEMBL6876543 0.83 MAPK1 (0.50) RARARARBRARGALDH1A1KDM4E
SCHEMBL6878037 0.82 KDM4E (0.49) RARARARBRARGALDH1A1KDM4E
SCHEMBL6878038 0.82 KDM4E (0.49) RARARARBRARGALDH1A1KDM4E
SCHEMBL6879550 0.82 RARA (0.48) RARARARBRARGALDH1A1HPGD
SCHEMBL6877457 0.78 RARB (0.53) RARARARBRARGALDH1A1KDM4E
SCHEMBL10352726 0.73 RARA (0.61) RARARARBRARGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US claimed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP claimed
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 US disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed