SCHEMBL27316483

SCHEMBL27316483

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.48
▸ BIRC2 Q13490 1/20 0.46
▸ CTSS P25774 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ ANPEP P15144 4/20 0.45
▸ MME P08473 1/20 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
SCHEMBL28139029 0.86 CTSS (0.45) CTSKCTSSCTSLCTSBANPEP
SCHEMBL28127118 0.85 ALDH1A1 (0.56) MME
SCHEMBL10594093 0.83 TAS1R3 (0.45) CTSKBIRC2CTSSCTSLCTSB
SCHEMBL27557259 0.82 LNPEP (0.46) ANPEP
SCHEMBL10585912 0.82 ANPEP (0.47) ANPEPMME
Hydrochloric Acid SCHEMBL11759454 0.81 CTSK (0.58) CTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL11759463 0.81 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL27936797 0.81 CTRB1 (0.48) —
SCHEMBL27336413 0.81 CTSK (0.47) CTSKCTSSCTSLCTSBANPEP
SCHEMBL28285390 0.80 NOS3 (0.47) CTSKCTSSCTSLCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 — — CN claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use — 1987-05-20 — — CN claimed
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 — — CN disclosed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use — 1987-05-20 — — CN disclosed
Send feedback