SCHEMBL7102740

SCHEMBL7102740

COc1ccc(CCNC(=O)C(NC(=O)[C@H](Cc2ccccc2)C(C)=S)C(=O)NCCc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51
PLAAT4 Q9UL19 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
FPR2 P25090 1/20 0.49
PTPN1 P18031 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
LDHA P00338 1/20 0.47

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
SCHEMBL7102745 1.00 KMT2A (0.57) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7104285 0.91 MMP8 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MMP8
SCHEMBL7104280 0.91 MMP8 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MMP8
SCHEMBL7097650 0.86 KMT2A (0.60) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7097647 0.86 KMT2A (0.60) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7104100 0.84 MMP8 (0.60) KMT2AMMP8
SCHEMBL7104095 0.84 MMP8 (0.60) KMT2AMMP8
SCHEMBL7099460 0.84 KMT2A (0.60) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7099462 0.84 KMT2A (0.60) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7097759 0.82 MMP8 (0.54) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed