SCHEMBL9045730

SCHEMBL9045730

CC(=O)N1CCC(NC(=O)Cc2c(Cl)cccc2Cl)(OC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 3/20 0.40
MEN1 O00255 1/20 0.39
AKR1B1 P15121 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9045960 0.93 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9043393 0.90 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL9044419 0.83 SMN1; SMN2 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6764643 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL9044742 0.82 S1PR5 (0.46) SIGMAR1
SCHEMBL9045718 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9045472 0.81 EPHX2 (0.44) ALDH1A1MAPTKMT2ASIGMAR1CYP2D6
SCHEMBL9044569 0.81 PYGL (0.35) ALDH1A1KDM4EKMT2ACYP2D6MEN1
SCHEMBL6767232 0.81 KMT2A (0.42) ALDH1A1MAPTKDM4EKMT2ASIGMAR1
SCHEMBL6765253 0.78 CTSS (0.42) ALDH1A1MAPTKDM4EKMT2ASIGMAR1

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