SCHEMBL11166172

SCHEMBL11166172

CC(C)(C)OC(=O)NC(C[C]=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.47
CTSS P25774 10/20 0.47
CTSL P07711 3/20 0.41
CTSB P07858 1/20 0.39
REN P00797 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
PTPRB P23467 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
SCHEMBL10376680 0.85 CTSK (0.47) CTSKCTSSCTSLCTSBREN
SCHEMBL10376679 0.85 CTSK (0.47) CTSKCTSSCTSLCTSBREN
SCHEMBL6649258 0.83 CTSK (0.48) CTSKCTSSCTSLCTSBREN
SCHEMBL6753883 0.83 CTSK (0.46) CTSKCTSSCTSLCTSBREN
SCHEMBL11412683 0.82 CTSK (0.45) CTSKCTSSCTSLCTSBREN
SCHEMBL6647750 0.82 CTSK (0.47) CTSKCTSSCTSLCTSBREN
SCHEMBL18511282 0.82 REN (0.46) CTSKCTSSCTSLRENMAPT
SCHEMBL21714671 0.81 CTSK (0.47) CTSKCTSSCTSLRENMAPT
SCHEMBL11169198 0.80 CTSS (0.47) CTSKCTSSCTSLCTSBREN
SCHEMBL10376375 0.80 CTSK (0.46) CTSKCTSSCTSLMAPTSMN1; SMN2

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
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed