SCHEMBL9201975

SCHEMBL9201975

CCOC1=N[C@H](C(=O)OCc2ccccc2)CC1SCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
KDM1A O60341 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 1/20 0.37
CHRM3 P20309 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9205215 0.83 IDO1 (0.42) SMN1; SMN2
SCHEMBL9197120 0.81 ALOX5 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL9200198 0.81 ALOX5 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL9199499 0.75 FABP7 (0.47) FABP7FABP5NPC1KMT2AL3MBTL1
SCHEMBL22028110 0.66 LTA4H (0.58) FABP7FABP5TP53NPC1POLB
SCHEMBL22028109 0.66 LTA4H (0.58) FABP7FABP5NPC1POLBRAB9A
SCHEMBL1521953 0.66 LTA4H (0.58) FABP7FABP5TP53NPC1POLB
SCHEMBL6644102 0.66 LTA4H (0.58) FABP7FABP5NPC1POLBRAB9A
SCHEMBL23989737 0.65 FABP7 (0.58) FABP7FABP5NPC1POLBRAB9A
SCHEMBL28976922 0.65 FABP7 (0.58) FABP7FABP5NPC1POLBRAB9A

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-0406863-B1 Cyclic amidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-05-24 EP disclosed
US-5100888-A Bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-31 US disclosed
EP-0406863-A1 Cyclic amidinylthiocarbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-01-09 EP disclosed