SCHEMBL10729919

SCHEMBL10729919

CCN1CCN(C(=O)N[C@@H]([C]=O)Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CTSS P25774 4/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CTSL P07711 3/20 0.36
▸ CTSB P07858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL10543832 1.00 CTSC (0.39) CTSCLMNACTSSCTSKCHRM1
SCHEMBL10543826 1.00 CTSC (0.39) CTSCLMNACTSSCTSKCHRM1
SCHEMBL11369206 0.82 CTSS (0.36) CTSCLMNACTSSCTSKCHRM1
SCHEMBL10541609 0.81 CAPN1 (0.47) CTSKCTSLCTSB
SCHEMBL10729925 0.81 CAPN1 (0.47) CTSKCTSLCTSB
SCHEMBL8626971 0.81 POLB (0.38) CTSSCHRM1NPC1
SCHEMBL10546522 0.80 GAA (0.37) —
SCHEMBL10543143 0.80 GAA (0.37) —
SCHEMBL10404397 0.79 GAA (0.36) —
SCHEMBL10545995 0.78 GAA (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4684724-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-04 — — US disclosed
US-4560508-A BETA-LACTAMASE INHIBITORS, ANINICROBIAL AGENT, CHEMICAL INTERMEDIATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-24 — — US disclosed
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