SCHEMBL9829697

SCHEMBL9829697

O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.57
▸ ITGB2 P05107 3/20 0.54
▸ ICAM1 P05362 3/20 0.54
▸ ITGAL P20701 3/20 0.54
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.48
▸ TRHR P34981 1/20 0.48
▸ CAPN1 P07384 1/20 0.47
▸ REN P00797 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ OGFRL1 Q5TC84 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ PPM1B O75688 2/20 0.45

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
SCHEMBL9828553 0.99 EPHX2 (0.59) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL29792521 0.83 EPHX2 (0.51) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL31339185 0.83 EPHX2 (0.51) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL31339177 0.83 EPHX2 (0.51) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL27777019 0.83 EPHX2 (0.60) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL27756048 0.82 EPHX2 (0.62) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL27413426 0.81 ITGB2 (0.67) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL27776878 0.80 EPHX2 (0.52) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL6026427 0.78 ITGB2 (0.64) EPHX2ITGB2ICAM1ITGALCA1
SCHEMBL5494124 0.78 ITGB2 (0.61) EPHX2ITGB2ICAM1ITGALCA1

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
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