SCHEMBL8428693

SCHEMBL8428693

COc1ccc(CNc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.59
RARB P10826 5/20 0.59
RARG P13631 5/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NR1I2 O75469 1/20 0.58
LMNA P02545 1/20 0.58
PGR P06401 1/20 0.58
HSPD1 P10809 1/20 0.58
GOT1 P17174 1/20 0.58
GLRA1 P23415 1/20 0.58
BLM P54132 1/20 0.58
HSPE1 P61604 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
S1PR1 P21453 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47

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
SCHEMBL8997645 0.85 RARA (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL8873156 0.85 RARA (0.57) RARARARBRARGMEN1KMT2A
SCHEMBL9453207 0.83 NR1H4 (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL6570369 0.82 S1PR1 (0.71) RARARARBRARGMEN1KMT2A
SCHEMBL565789 0.81 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL1082340 0.81 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL4936267 0.81 RARA (0.65) RARARARBRARGMEN1KMT2A
SCHEMBL8874310 0.81 RARA (0.62) RARARARBRARGMEN1KMT2A
SCHEMBL8691699 0.81 RARA (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8424465 0.81 RARA (0.59) 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-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