SCHEMBL8424167

SCHEMBL8424167

COc1ccc(SCc2cc(C(=O)O)cs2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.53
RARB P10826 5/20 0.53
RARG P13631 5/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
HSPD1 P10809 1/20 0.53
GOT1 P17174 1/20 0.53
GLRA1 P23415 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC11 Q96DB2 2/20 0.41
HDAC2 Q92769 1/20 0.41
S1PR1 P21453 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL8692195 0.91 KMT2A (0.45) RARARARBRARGMEN1NR1I2
SCHEMBL8426342 0.83 RARA (0.60) RARARARBRARGMEN1NR1I2
SCHEMBL8424188 0.82 RARA (0.55) RARARARBRARGMEN1NR1I2
SCHEMBL8424892 0.81 RARA (0.52) RARARARBRARGMEN1NR1I2
SCHEMBL8424465 0.81 RARA (0.59) RARARARBRARGMEN1NR1I2
SCHEMBL8424848 0.79 RARA (0.40) RARARARBRARGMEN1NR1I2
SCHEMBL8690489 0.78 RARA (0.52) RARARARBRARGMEN1NR1I2
SCHEMBL1082340 0.77 RARA (0.77) RARARARBRARGMEN1NR1I2
SCHEMBL565789 0.77 RARA (0.77) RARARARBRARGMEN1NR1I2
SCHEMBL8693609 0.76 RARA (0.50) RARARARBRARGMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP claimed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US claimed
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP disclosed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed