SCHEMBL9486117

SCHEMBL9486117

COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
CNR2 P34972 1/20 0.53
RARA P10276 3/20 0.53
RARB P10826 3/20 0.53
RARG P13631 3/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 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
HDAC11 Q96DB2 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL8696978 0.90 NPC1 (0.56) PKMCNR2RARARARBRARG
SCHEMBL9453322 0.90 RARA (0.53) PKMCNR2RARARARBRARG
SCHEMBL9453208 0.90 RARA (0.56) PKMCNR2RARARARBRARG
SCHEMBL4936267 0.90 RARA (0.65) PKMCNR2RARARARBRARG
SCHEMBL9486691 0.89 KMT2A (0.57) PKMCNR2RARARARBRARG
Hydrochloric Acid SCHEMBL9453323 0.89 RARA (0.64) PKMCNR2RARARARBRARG
SCHEMBL9453307 0.87 RARA (0.49) PKMCNR2RARARARBRARG
SCHEMBL9453200 0.86 RARA (0.50) PKMCNR2RARARARBRARG
SCHEMBL9453209 0.86 RARA (0.50) PKMCNR2RARARARBRARG
SCHEMBL9453316 0.86 RARA (0.50) PKMCNR2RARARARBRARG

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-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP claimed
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP disclosed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP disclosed