SCHEMBL8436675

SCHEMBL8436675

CCOC(OC)Oc1cc(C(=O)Sc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.41
RARB P10826 9/20 0.41
RARG P13631 9/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IKBKB O14920 5/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL8428679 0.93 RARA (0.47) RARARARBRARGMEN1KMT2A
SCHEMBL8397882 0.90 RARG (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8397780 0.86 RARA (0.36) RARARARBRARGMEN1KMT2A
SCHEMBL8431715 0.85 RARB (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL8433865 0.85 RARA (0.54) RARARARBRARGMEN1KMT2A
SCHEMBL8432429 0.84 CYP3A4 (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8399151 0.83 RARA (0.39) RARARARBRARGMEN1KMT2A
SCHEMBL8433276 0.83 RARA (0.44) RARARARBRARGMEN1KMT2A
SCHEMBL8431871 0.83 RARG (0.63) RARARARBRARGMEN1KMT2A
SCHEMBL8431926 0.83 RARG (0.63) 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