SCHEMBL12425622

SCHEMBL12425622

CSCC(=O)NCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL20158616 0.92 HPGD (0.46) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL24778821 0.80 HPGD (0.50) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL19879078 0.78 CYP2D6 (0.46) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL10447542 0.78 CYP2D6 (0.62) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL24330217 0.75 GAA (0.39) HPGDSMN1; SMN2LMNAGAAKMT2A
SCHEMBL24474417 0.75 HPGD (0.50) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL15099963 0.74 MAPT (0.36) SMN1; SMN2LMNAKDM4ERECQLMAPT
SCHEMBL20987826 0.74 HPGD (0.45) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL6644938 0.73 CYP2D6 (0.56) HPGDUSP2CYP2D6CYP2C19MMP1
SCHEMBL11919895 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580211-B1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 EP disclosed
EP-2536698-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-06-10 EP disclosed
WO-2011154555-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-15 WO disclosed
WO-2011101402-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed