SCHEMBL9045472

SCHEMBL9045472

CC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)(OC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
ENPP2 Q13822 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 2/20 0.39
CYP2D6 P10635 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38

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
SCHEMBL9046338 0.91 KMT2A (0.43) EPHX2KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL9045046 0.89 KMT2A (0.45) EPHX2KMT2ASIGMAR1RECQLP2RX7
SCHEMBL6766304 0.84 SHMT1 (0.48) EPHX2KMT2ASIGMAR1ALDH1A1ENPP2
SCHEMBL6764666 0.82 KMT2A (0.44) EPHX2KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL9045945 0.82 MEN1 (0.42) KMT2AALDH1A1LMNAHPGDP2RX7
SCHEMBL9045730 0.81 ALDH1A1 (0.46) KMT2ASIGMAR1ALDH1A1MAPTMAPK1
SCHEMBL6765934 0.80 KMT2A (0.44) EPHX2KMT2ASIGMAR1ALDH1A1ENPP2
SCHEMBL9044774 0.80 KMT2A (0.44) KMT2ASIGMAR1ALDH1A1MAPTRECQL
SCHEMBL9045960 0.77 ALDH1A1 (0.48) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9046646 0.77 SIGMAR1 (0.42) EPHX2KMT2ASIGMAR1ALDH1A1RECQL

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