SCHEMBL7715319

SCHEMBL7715319

CSC1(SC)CCOc2ccc(C(=O)C#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.36
RARG P13631 7/20 0.36
RARA P10276 6/20 0.36
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 1/20 0.33
RXRA P19793 3/20 0.32
CYP26B1 Q9NR63 1/20 0.32
CA12 O43570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HNF4A P41235 1/20 0.31
XDH P47989 2/20 0.31
SLC22A12 Q96S37 2/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL7714849 0.90 RARB (0.39) RARBRARGRARACYP26A1CYP26B1
SCHEMBL20636854 0.89 RARA (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7753401 0.83 ACACB (0.33) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7713267 0.81 ACACB (0.33) RARBRARGRARAALDH1A1HPGD
SCHEMBL9817651 0.79 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8440033 0.78 CA12 (0.41) RARBRARGRARACA12ALDH1A1
SCHEMBL20636817 0.78 RARA (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20636850 0.78 AKR1B1 (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20636858 0.78 RARA (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8101913 0.77 RARB (0.53) RARBRARGRARACYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP 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
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed