SCHEMBL9828778

SCHEMBL9828778

COc1cccc(C(=O)NC(C)(C)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
TP53 P04637 4/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 1/20 0.53
PARP1 P09874 1/20 0.53

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
SCHEMBL12024479 0.88 RAB9A (0.64) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL10806203 0.87 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL8541406 0.86 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL12024482 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL3042081 0.82 RAB9A (0.64) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL12024477 0.82 ABCB1 (0.61) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL28250051 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL28456891 0.81 MAPT (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6301076 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL9828913 0.80 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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