SCHEMBL8434839

SCHEMBL8434839

COc1cc(C(O)C#Cc2ccc(C(=O)O)c(O)c2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.41
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BLM P54132 2/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8435663 0.88 RARB (0.34) RARARARBRARGMEN1KMT2A
SCHEMBL8432035 0.87 RARB (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL8394354 0.84 CNR2 (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL6159273 0.76 RARB (0.50) RARARARBRARGCYP3A4
SCHEMBL6260318 0.76 RARB (0.50) RARARARBRARGCYP3A4
SCHEMBL1991598 0.76 RARB (0.50) RARARARBRARGCYP3A4
SCHEMBL8394464 0.76 RARB (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL8432387 0.75 IKBKB (0.57) RARARARBRARGMEN1KMT2A
SCHEMBL8432383 0.74 RARA (0.39) RARARARBRARGMEN1KMT2A
SCHEMBL8432390 0.74 IKBKB (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP claimed