SCHEMBL8601335

SCHEMBL8601335

NC(=O)CC(NC(CC(N)=O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.47
TGFBR1 P36897 1/20 0.46
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL2487178 0.93 ECE1 (0.43) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL6892901 0.93 ECE1 (0.43) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL14199842 0.86 ECE1 (0.50) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL14179672 0.86 ECE1 (0.50) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL16750044 0.86 ECE1 (0.50) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL30064771 0.85 FOLH1 (0.52) ECE1MAPTPMP22
SCHEMBL10610009 0.84 ECE1 (0.49) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL5155757 0.84 ECE1 (0.49) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL29742771 0.84 ECE1 (0.47) ECE1TGFBR1ITGB2ICAM1ITGAL
SCHEMBL23222804 0.83 ECE1 (0.47) ECE1TGFBR1ITGB2ICAM1ITGAL

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
CN-106463681-B Anti-sulfation pasting felt for lead-acid storage battery OCV智识资本有限责任公司 2021-01-22 CN disclosed
US-5739393-A Process for the preparation of polymers with recurring succinyl units BAYER AG (DE) 1998-04-14 US disclosed