SCHEMBL7709233

SCHEMBL7709233

CC1(C)CCC(C)(C)c2cc(C(O)C#Cc3ccc(C=O)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.47
RARG P13631 15/20 0.47
RARA P10276 12/20 0.47
CYP26A1 O43174 5/20 0.46
CYP3A4 P08684 4/20 0.46
CRABP2 P29373 1/20 0.46
RXRA P19793 5/20 0.45
RXRB P28702 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 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
SCHEMBL7709180 0.88 RARB (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713056 0.86 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8640016 0.85 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6378967 0.84 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
Methyl Alcohol SCHEMBL7715082 0.83 RXRA (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7714860 0.83 RARB (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713053 0.82 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709181 0.81 RXRA (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9484730 0.81 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715161 0.81 CYP3A4 (0.54) RARBRARGRARACYP26A1CYP3A4

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 7 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-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