SCHEMBL9320581

SCHEMBL9320581

COc1cc(O)c(C(=O)Sc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.53
RARB P10826 6/20 0.53
RARG P13631 6/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 1/20 0.52
HSPD1 P10809 1/20 0.52
GOT1 P17174 1/20 0.52
GLRA1 P23415 1/20 0.52
BLM P54132 1/20 0.52
HSPE1 P61604 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IKBKB O14920 5/20 0.45
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8460115 0.91 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL8458811 0.89 RARA (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL5078203 0.85 RARA (0.65) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL9737093 0.84 RARA (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL9320719 0.82 RARA (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL8521998 0.78 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL9492172 0.78 RARA (0.62) RARARARBRARGMEN1KMT2A
SCHEMBL8523165 0.77 RARA (0.57) RARARARBRARGMEN1KMT2A
SCHEMBL8426342 0.77 RARA (0.60) RARARARBRARGMEN1KMT2A
SCHEMBL9737080 0.76 RARA (0.53) 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-0409729-B1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1994-01-12 EP claimed