SCHEMBL8428491

SCHEMBL8428491

CCOC(OC)Oc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.48
RARA P10276 10/20 0.48
RARG P13631 10/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
IKBKB O14920 4/20 0.43
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8431715 0.93 RARB (0.43) RARBRARARARGMEN1KMT2A
SCHEMBL5888168 0.91 RARB (0.53) RARBRARARARGMEN1KMT2A
SCHEMBL8424161 0.91 RARA (0.41) RARBRARARARGMEN1KMT2A
SCHEMBL8424241 0.90 RARA (0.44) RARBRARARARGMEN1KMT2A
SCHEMBL8690755 0.87 KDM4E (0.43) RARBRARARARGMEN1KMT2A
SCHEMBL8693722 0.87 RARA (0.40) RARBRARARARGMEN1KMT2A
SCHEMBL8428679 0.85 RARA (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL8694759 0.85 RARA (0.44) RARBRARARARGMEN1KMT2A
SCHEMBL8617711 0.85 RARA (0.48) RARBRARARARGMEN1KMT2A
SCHEMBL5887965 0.85 RARA (0.57) RARBRARARARGMEN1KMT2A

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