SCHEMBL8546341

SCHEMBL8546341

C=C(CCNC(=O)Nc1ccccc1C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.74
ITGAV P06756 2/20 0.74
ITGB1 P05556 1/20 0.60
ITGA5 P08648 1/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DDX3X O00571 1/20 0.47
HPGD P15428 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
SCHEMBL8547216 0.92 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL7097365 0.84 ITGB3 (0.51) ITGB3ITGAVKMT2AMEN1ALDH1A1
SCHEMBL22190114 0.82 EPHX1 (0.52) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL8550052 0.82 GOT1 (0.52) ITGB3ITGAVKMT2AMEN1ALDH1A1
SCHEMBL8545918 0.81 EPHX1 (0.64) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2314772 0.80 EPHX1 (0.55) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL7443824 0.79 ITGB3 (0.71) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL4898293 0.77 ITGB3 (0.69) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL28804312 0.77 POLB (0.63) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL7097526 0.77 TRPV1 (0.47) ITGB3ITGAVKMT2AMEN1ALDH1A1

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
US-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed