SCHEMBL10786282

SCHEMBL10786282

N=C(N)NCCCC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.57
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
C3AR1 Q16581 1/20 0.48
PTGER4 P35408 2/20 0.48
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.46

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
SCHEMBL10786296 1.00 FOLH1 (0.57) FOLH1CPB1CPB2ITGB3ITGAV
SCHEMBL2689905 0.98 FOLH1 (0.55) FOLH1CPB1CPB2ITGB3ITGAV
SCHEMBL19586941 0.98 FOLH1 (0.55) FOLH1CPB1CPB2ITGB3ITGAV
SCHEMBL10829274 0.93 PTGER4 (0.56) FOLH1CPB1CPB2PTGER4
SCHEMBL10829276 0.93 PTGER4 (0.56) FOLH1CPB1CPB2PTGER4
SCHEMBL10787900 0.93 PTGER4 (0.51) FOLH1CPB1CPB2PTGER4
SCHEMBL10787892 0.93 PTGER4 (0.51) FOLH1CPB1CPB2PTGER4
SCHEMBL18440712 0.92 CPB1 (0.52) FOLH1CPB1CPB2ITGB3ITGAV
SCHEMBL6768020 0.90 FOLH1 (0.59) FOLH1CPB1CPB2ITGB3ITGAV
SCHEMBL631840 0.90 FOLH1 (0.59) FOLH1CPB1CPB2ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4698419-A HEPATITIS, LIVER DISORDERS VSESOJUZNY KARDIOLOGICHESKY NAUCHNY TSENTR AKADEMII MEDITSINSKIKH NAUK SSSR (SU) 1987-10-06 US disclosed