SCHEMBL9485994

SCHEMBL9485994

COC(=O)c1ccc(NC(=O)c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
RARA P10276 3/20 0.48
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 2/20 0.46
CNR2 P34972 1/20 0.46
NAMPT P43490 1/20 0.44
HDAC11 Q96DB2 3/20 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
SCHEMBL8462108 0.92 RARA (0.53) EPHX2RARARARBRARGKMT2A
SCHEMBL9453263 0.92 EPHX2 (0.48) EPHX2RARARARBRARGKMT2A
SCHEMBL8696978 0.87 NPC1 (0.56) EPHX2RARARARBRARGKMT2A
SCHEMBL6536442 0.86 RARA (0.55) RARARARBRARGKMT2AMEN1
SCHEMBL14425206 0.84 RARA (0.50) RARARARBRARGKMT2AMEN1
SCHEMBL9453208 0.83 RARA (0.56) EPHX2RARARARBRARGKMT2A
SCHEMBL4936267 0.83 RARA (0.65) EPHX2RARARARBRARGKMT2A
SCHEMBL9453322 0.83 RARA (0.53) RARARARBRARGKMT2AMEN1
SCHEMBL9126792 0.83 KMT2A (0.51) EPHX2RARARARBRARGKMT2A
SCHEMBL9486117 0.82 PKM (0.53) RARARARBRARGKMT2AMEN1

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-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