SCHEMBL8907346

SCHEMBL8907346

COC(=O)c1ccc(OC(CO)c2ccc3c(c2)C(C)(C)CCS3)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.44
RARB P10826 10/20 0.44
RARG P13631 10/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 4/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 2/20 0.36
EGFR P00533 1/20 0.34
GAA P10253 1/20 0.34
CYP26A1 O43174 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
CYP26B1 Q9NR63 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
SCHEMBL9195254 0.90 RARB (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL8907362 0.84 CYP3A4 (0.48) RARARARBRARGCA12CA1
SCHEMBL9256097 0.78 CYP3A4 (0.57) RARARARBRARGCA12CA1
SCHEMBL7713085 0.77 RARA (0.45) RARARARBRARGCA12CA1
SCHEMBL8440028 0.76 RARA (0.54) RARARARBRARGCA12CA1
SCHEMBL8908927 0.74 CYP3A4 (0.55) RARARARBRARGCYP3A4KMT2A
SCHEMBL10566455 0.72 RARA (0.50) RARARARBRARGCYP3A4KMT2A
SCHEMBL7714846 0.70 RARA (0.52) RARARARBRARGCA12CA1
SCHEMBL5084222 0.70 CYP3A4 (0.63) RARARARBRARGCA12CA1
SCHEMBL20636868 0.69 RARB (0.54) RARARARBRARGCYP3A4KMT2A

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 2 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