SCHEMBL9045945

SCHEMBL9045945

CC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2C)(OC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.35
GRIN2B Q13224 1/20 0.35
P2RX7 Q99572 3/20 0.35
CYP2D6 P10635 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9045439 0.89 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9044569 0.85 PYGL (0.35) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL9044691 0.84 POLB (0.38) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6767292 0.83 MEN1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9045472 0.82 EPHX2 (0.44) KMT2AALDH1A1HPGDP2RX7CYP2D6
SCHEMBL9045049 0.79 CYP3A4 (0.37) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6767098 0.79 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9045730 0.76 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1CYP2D6
SCHEMBL9046306 0.74 ALOX15 (0.42) MEN1KMT2APOLBP2RX7LMNA
SCHEMBL9046338 0.72 KMT2A (0.43) MEN1KMT2AALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed