SCHEMBL8907735

SCHEMBL8907735

CC(C)(C)c1cc(C(O)COc2ccc(C(=O)O)c(O)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
XDH P47989 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
PLA2G4A P47712 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
SCHEMBL8907483 0.89 CYP26A1 (0.42) MAOBXDHCYP26A1CYP3A4CYP26B1
SCHEMBL8907630 0.85 CYP19A1 (0.46) CYP26A1CYP3A4CYP26B1
SCHEMBL8874204 0.81 MAOB (0.53) MAOBXDH
SCHEMBL8839042 0.78 NPC1 (0.45) MAOBXDH
SCHEMBL28911910 0.75 CYP3A4 (0.49) XDHCYP26A1CYP3A4CYP26B1
SCHEMBL8923401 0.74 ADRB3 (0.45) CYP26A1CYP3A4CYP26B1
SCHEMBL8923395 0.74 ADRB3 (0.45) CYP26A1CYP3A4CYP26B1
SCHEMBL5084224 0.74 CYP26A1 (0.72) MAOBCYP26A1CYP3A4CYP26B1
SCHEMBL3294782 0.72 TSHR (0.48) MAOBCYP3A4PLA2G4A
SCHEMBL9508231 0.72 PPARA (0.47) MAOB

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 4 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 claimed
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 claimed
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