SCHEMBL7863191

SCHEMBL7863191

O=C(O)CC(c1ccccc1)c1cccc(OCc2cccc(NC3=NCCN3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSA P10619 1/20 0.46
ITGB3 P05106 6/20 0.43
ITGAV P06756 6/20 0.43
ITGA2B P08514 2/20 0.43
FFAR1 O14842 4/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGB6 P18564 1/20 0.40
ITGB8 P26012 1/20 0.40
ITGA8 P53708 1/20 0.40
PTK6 Q13882 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
PTGIR P43119 1/20 0.39

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
SCHEMBL7863151 0.75 KMT2A (0.57) KMT2ASMN1; SMN2CTSAFFAR1SIRT2
SCHEMBL7863159 0.75 KMT2A (0.56) KMT2ASMN1; SMN2CTSAFFAR1SIRT2
SCHEMBL7856510 0.75 ITGB3 (0.42) ITGB3ITGAVITGA2BFFAR1ITGB1
SCHEMBL2837241 0.73 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL8357385 0.72 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL8533029 0.72 UBE2N (0.44) CTSAITGB3ITGAVITGA2BITGB1
SCHEMBL8530936 0.71 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2832066 0.71 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7500485 0.70 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500489 0.70 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5

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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed