SCHEMBL9738368

SCHEMBL9738368

CCC(O)CN(C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CETP P11597 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPT P10636 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL10670515 0.82 LTB4R2 (0.44) LTB4R2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4632782 0.81 MEN1 (0.44) LTB4R2CYP1A2CYP3A4CYP2C19CETP
SCHEMBL4499074 0.81 LTB4R2 (0.45) LTB4R2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL440958 0.77 RXFP1 (0.43) LTB4R2CYP1A2CYP3A4CYP2C19CETP
SCHEMBL5802953 0.76 RXFP1 (0.42) LTB4R2CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL29042373 0.76 RXFP1 (0.42) LTB4R2CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL12707645 0.76 HDAC8 (0.56) LTB4R2CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL1007873 0.76 RXFP1 (0.42) LTB4R2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9135626 0.75 CYP1A2 (0.43) LTB4R2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL19745812 0.74 HDAC1 (0.49) LTB4R2MEN1KMT2AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110947-A Process for the preparation of 3-carboalkoxypyrrolidones ICI AMERICAS INC. (US) 1992-05-05 US disclosed
WO-1990007499-A1 PROCESS FOR THE PREPARATION OF 3-CARBOALKOXYPYRROLIDONES ICI AMERICAS INC. (US) 1990-07-12 WO disclosed
WO-1990007497-A1 PROCESS FOR THE PREPARATION OF 3-ACYLPYRROLIDONES ICI AMERICAS INC. (US) 1990-07-12 WO disclosed
US-4874873-A Process for the preparation of 3-acylpyrrolidones ICI AMERICAS INC. (US) 1989-10-17 US disclosed
US-4724261-A CHEMICAL INTERMEDIATE FOR ANILINO ALKANONE HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-02-09 US disclosed