SCHEMBL7709220

SCHEMBL7709220

COC(=O)c1ccc(C#CC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.65
CYP26A1 O43174 8/20 0.57
RARB P10826 6/20 0.55
RARG P13631 5/20 0.55
RARA P10276 4/20 0.55
CRABP2 P29373 1/20 0.55
CYP26B1 Q9NR63 3/20 0.48
RXRA P19793 9/20 0.46
RXRB P28702 8/20 0.46
RXRG P48443 5/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL7717535 0.86 CYP3A4 (0.52) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6373022 0.86 RARB (0.75) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6878102 0.82 CYP3A4 (0.61) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL2788640 0.82 CYP3A4 (0.70) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL9187540 0.80 CYP3A4 (0.76) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL9319204 0.80 CYP3A4 (0.67) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL7422927 0.80 RXRA (0.70) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6879098 0.80 CYP3A4 (0.55) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6881535 0.80 CYP3A4 (0.55) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL9187032 0.79 CYP3A4 (0.74) CYP3A4CYP26A1RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US claimed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP claimed
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 claimed
JP-8119895-A None JP disclosed
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 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-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 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
JP-H08119895-A BIAROMATIC PROPYNYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND COSMETICS CONTAINING THE SAME, AND THEIR USES CIRD GALDERMA 1996-05-14 JP disclosed