SCHEMBL7713101

SCHEMBL7713101

COc1ccc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.52
RARG P13631 3/20 0.52
RARA P10276 2/20 0.52
WDR5 P61964 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL7709247 0.90 RARA (0.43) RARBRARGRARAWDR5CA1
SCHEMBL8611723 0.86 THRA (0.42) RARBRARGRARATSHR
SCHEMBL2098914 0.81 RARB (0.44) RARBRARGRARANR1H4TSHR
SCHEMBL8681589 0.80 RARA (0.42) RARBRARGRARAWDR5HTT
SCHEMBL2098396 0.80 RARB (0.50) RARBRARGRARA
SCHEMBL2098805 0.78 RARB (0.46) RARBRARGRARATSHRTTR
SCHEMBL1421835 0.78 RARA (0.73) RARBRARGRARAWDR5CA12
SCHEMBL31325762 0.78 RARA (0.73) RARBRARGRARAWDR5CA12
SCHEMBL7713192 0.78 THRA (0.41) MAPK1TSHR
SCHEMBL2099841 0.77 RARB (0.46) RARBRARGRARATSHR

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-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
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