SCHEMBL9830012

SCHEMBL9830012

O=C(O)C(O)CNC(=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
F2R P25116 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NAAA Q02083 1/20 0.45
PSMB5 P28074 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
HPGD P15428 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL25406446 0.80 EPHX1 (0.50) EPHX1ITGB3ITGA2BSMN1; SMN2HSD17B10
SCHEMBL25406448 0.80 EPHX1 (0.50) EPHX1ITGB3ITGA2BSMN1; SMN2HSD17B10
SCHEMBL5858399 0.79 EPHX1 (0.53) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL16140445 0.78 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL20794498 0.78 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL31452994 0.78 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL5610069 0.77 EPHX1 (0.58) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL6755753 0.77 EPHX1 (0.58) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL11150806 0.76 EPHX1 (0.50) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6
SCHEMBL15057857 0.75 EPHX1 (0.52) EPHX1SMN1; SMN2HSD17B10HDAC8HDAC6

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