SCHEMBL7374261

SCHEMBL7374261

CC(C)(C)OC(=O)CC[C@@](NC(=O)OCc1ccccc1)(Nc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MGLL Q99685 1/20 0.39
CTSS P25774 2/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 1/20 0.39
OPRK1 P41145 1/20 0.39
CTSK P43235 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL7291214 0.91 SYK (0.43) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL9813956 0.86 HTT (0.49) MEN1KMT2AITGB3ITGA2BSMN1; SMN2
SCHEMBL328631 0.82 SYK (0.49) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL16281851 0.82 SYK (0.49) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL7367330 0.80 SYK (0.47) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL22829843 0.79 HTT (0.47) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL26192488 0.78 SYK (0.46) SYKMEN1KMT2ASMN1; SMN2CTSS
SCHEMBL7290272 0.78 MME (0.43) MEN1KMT2AMAPT
SCHEMBL4632517 0.78 SYK (0.53) SYKMEN1KMT2AITGB3ITGA2B
SCHEMBL4632514 0.78 SYK (0.53) SYKMEN1KMT2AITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP disclosed
US-5317021-A Analgesics, anticonvulsants ONO PHARMACEUTICAL CO., LTD. (JP) 1994-05-31 US disclosed
US-5202340-A Analgesics, anticonvulsants, anxiolytic agents, inhibitors for enkephalinases ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed