SCHEMBL8907166

SCHEMBL8907166

CC1(C)CCSc2ccc(C(=O)CBr)cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.56
RARG P13631 11/20 0.56
RARA P10276 10/20 0.56
RXRA P19793 4/20 0.53
CYP3A4 P08684 4/20 0.48
CYP26A1 O43174 2/20 0.48
KMT2A Q03164 1/20 0.47
SSTR5 P35346 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP26B1 Q9NR63 1/20 0.40
GSK3B P49841 1/20 0.39
PTPN1 P18031 2/20 0.39
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37

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
SCHEMBL8109800 0.85 RARB (0.58) RARBRARGRARARXRACYP3A4
SCHEMBL8101908 0.82 RARB (0.72) RARBRARGRARARXRACYP3A4
SCHEMBL3456673 0.82 RARB (0.64) RARBRARGRARARXRACYP3A4
SCHEMBL10284325 0.81 RARB (0.60) RARBRARGRARARXRACYP3A4
SCHEMBL1550094 0.79 CYP3A4 (0.59) RARBRARGRARARXRACYP3A4
SCHEMBL28971886 0.78 RARA (0.51) RARBRARGRARARXRACYP3A4
SCHEMBL10565430 0.78 RARB (0.70) RARBRARGRARARXRACYP3A4
SCHEMBL7138376 0.77 RARB (0.55) RARBRARGRARARXRACYP3A4
SCHEMBL27557342 0.77 RARB (0.61) RARBRARGRARARXRACYP3A4
SCHEMBL27324962 0.75 RARB (0.66) RARBRARGRARARXRACYP3A4

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