SCHEMBL27455708

SCHEMBL27455708

O=C(NCc1ccccc1)OC(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ UTS2R Q9UKP6 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SRR Q9GZT4 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
SCHEMBL28628480 0.81 SCN9A (0.54) PPARGPPARAATMSRR
SCHEMBL27438213 0.81 SCN9A (0.54) PPARGPPARAATMSRR
SCHEMBL10874175 0.79 SRR (0.51) PPARGPPARASRR
SCHEMBL27949321 0.79 SRR (0.51) PPARGPPARASRR
SCHEMBL22500487 0.74 CASP3 (0.57) CASP3
SCHEMBL28575377 0.74 ATM (0.52) PPARGPPARAATM
SCHEMBL28890728 0.74 CYP1A2 (0.49) MMP8
SCHEMBL27782435 0.74 MMP8 (0.47) PPARGPPARAUTS2RCYP19A1MMP8
SCHEMBL12111459 0.73 NPC1 (0.57) CASP3
SCHEMBL4328292 0.73 ALDH1A1 (0.55) PPARGPPARAUTS2RCYP19A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128135-C Process for reducing alpha-aminoketones KANEKA CORP (JP) 2003-11-19 — — CN claimed
CN-1228081-A Process for reducing alpha-aminoketones KANEKA CORP (JP) 1999-09-08 — — CN claimed
CN-1178517-A Process for reduction of carbonyl compounds KANEKA CORP (JP) 1998-04-08 — — CN claimed
CN-1128135-C Process for reducing alpha-aminoketones KANEKA CORP (JP) 2003-11-19 — — CN disclosed
CN-1228081-A Process for reducing alpha-aminoketones KANEKA CORP (JP) 1999-09-08 — — CN disclosed
CN-1178517-A Process for reduction of carbonyl compounds KANEKA CORP (JP) 1998-04-08 — — CN disclosed
Send feedback