SCHEMBL9716804

SCHEMBL9716804

CCCCC(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
LTB4R2 Q9NPC1 13/20 0.58
AGTR1 P30556 1/20 0.53
NPC1 O15118 1/20 0.51
JAK2 O60674 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL9666922 0.95 TP53 (0.58) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL4740482 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL9664195 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL4062526 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL4743986 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL9666989 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL4740473 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL9664702 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL4744095 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2
SCHEMBL9664155 0.94 TP53 (0.57) TP53LTB4R2AGTR1NPC1JAK2

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed