SCHEMBL8907353

SCHEMBL8907353

COC(=O)c1ccc(OCC(O)c2ccc3c(c2)C(SC)(SC)CCO3)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.36
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL8908934 0.91 CYP26A1 (0.46) CYP3A4CYP26A1CYP26B1CA12CA1
SCHEMBL5084222 0.79 CYP3A4 (0.63) CYP3A4CYP26A1CYP26B1CA12CA1
SCHEMBL7714840 0.79 CA12 (0.35) CA12CA1CA2CA7PDK2
SCHEMBL8440033 0.77 CA12 (0.41) CA12CA1CA2CA7PDK2
SCHEMBL6146889 0.75 RARA (0.38) CYP3A4CYP26A1CYP26B1LMNANPC1
SCHEMBL8907362 0.74 CYP3A4 (0.48) CYP3A4CYP26A1CYP26B1CA12CA1
SCHEMBL7715267 0.72 CA12 (0.35) CA12CA1CA2CA7PDK2
SCHEMBL7714849 0.71 RARB (0.39) CYP26A1CYP26B1CA12CA1CA2
SCHEMBL6144565 0.70 CYP26A1 (0.46) CYP3A4CYP26A1CYP26B1TP53RARA
SCHEMBL7715091 0.69 RARB (0.42) CYP3A4LMNANPC1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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