SCHEMBL8424944

SCHEMBL8424944

COc1ccc(C(=S)Nc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.62
RARB P10826 5/20 0.62
RARG P13631 5/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
PGR P06401 1/20 0.59
HSPD1 P10809 1/20 0.59
GOT1 P17174 1/20 0.59
GLRA1 P23415 1/20 0.59
BLM P54132 1/20 0.59
HSPE1 P61604 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
P2RX5 Q93086 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47
EPHX2 P34913 1/20 0.46
HDAC11 Q96DB2 2/20 0.46

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
SCHEMBL8695737 0.91 EPHX2 (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL4936267 0.89 RARA (0.65) RARARARBRARGMEN1KMT2A
SCHEMBL6535616 0.88 RARA (0.64) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL9453323 0.88 RARA (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL8874310 0.87 RARA (0.62) RARARARBRARGMEN1KMT2A
SCHEMBL565789 0.85 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL1082340 0.85 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL8424422 0.85 RARA (0.67) RARARARBRARGMEN1KMT2A
SCHEMBL8424419 0.84 RARA (0.46) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL9124255 0.84 RARA (0.76) RARARARBRARGMEN1KMT2A

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 3 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
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
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