SCHEMBL7714816

SCHEMBL7714816

C=CCOC(=O)c1ccc(C(O)C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 8/20 0.50
▸ RARB P10826 8/20 0.50
▸ RARG P13631 8/20 0.50
▸ CYP3A4 P08684 7/20 0.50
▸ CYP26A1 O43174 5/20 0.50
▸ CRABP2 P29373 1/20 0.50
▸ CYP26B1 Q9NR63 2/20 0.46
▸ RXRA P19793 7/20 0.44
▸ RXRB P28702 6/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RXRG P48443 5/20 0.41
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 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
SCHEMBL7714832 0.84 RARB (0.51) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7713134 0.82 RARB (0.74) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8839101 0.79 RXRA (0.48) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7715161 0.78 CYP3A4 (0.54) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8106548 0.78 CYP3A4 (0.47) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8839100 0.78 RXRA (0.45) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6378967 0.77 RARB (0.68) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8839136 0.77 RARB (0.52) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8839222 0.76 RXRA (0.50) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8102732 0.74 RXRA (0.42) RARARARBRARGCYP3A4CYP26A1

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
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 — — US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 — — US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 — — US disclosed
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