SCHEMBL7714860

SCHEMBL7714860

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.44
RARG P13631 9/20 0.44
RARA P10276 7/20 0.44
CYP26A1 O43174 4/20 0.44
CYP3A4 P08684 3/20 0.44
CRABP2 P29373 1/20 0.44
RXRA P19793 3/20 0.43
CYP26B1 Q9NR63 3/20 0.41
RXRB P28702 1/20 0.41
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
SPPL2A Q8TCT8 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL7713056 0.84 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709233 0.83 RARB (0.47) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8640016 0.83 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7709181 0.82 RXRA (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6378967 0.82 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
Methyl Alcohol SCHEMBL7715082 0.81 RXRA (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9822546 0.81 RXRA (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9279402 0.81 RARB (0.61) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7713053 0.81 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715161 0.79 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
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 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
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