SCHEMBL9453206

SCHEMBL9453206

COC(=O)c1ccc(NC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
HIF1A Q16665 2/20 0.51
RARB P10826 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RARA P10276 4/20 0.50
RARG P13631 4/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 2/20 0.49
MDH1 P40925 1/20 0.48
MDH2 P40926 1/20 0.48
EP300 Q09472 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
SCHEMBL5888301 0.89 RARB (0.57) EPHX2HIF1ARARBSMN1; SMN2RARA
SCHEMBL8696978 0.88 NPC1 (0.56) EPHX2HIF1ARARBNPC1RAB9A
SCHEMBL8460298 0.86 RARA (0.64) EPHX2HIF1ARARBSMN1; SMN2RARA
SCHEMBL9622187 0.86 RARA (0.53) EPHX2HIF1ARARBSMN1; SMN2RARA
SCHEMBL6571384 0.83 RARA (0.51) EPHX2HIF1ARARBRARARARG
SCHEMBL14425206 0.82 RARA (0.50) RARBNPC1RAB9ASMN1; SMN2RARA
SCHEMBL8572597 0.81 HIF1A (0.48) EPHX2HIF1ARARBSMN1; SMN2RARA
SCHEMBL9485994 0.81 EPHX2 (0.57) EPHX2RARBNPC1RAB9ASMN1; SMN2
SCHEMBL9453266 0.81 PPARG (0.47) EPHX2HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL9453300 0.81 PPARG (0.47) EPHX2HIF1ANPC1RAB9ASMN1; SMN2

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
US-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US 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 claimed
US-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US disclosed