SCHEMBL10542453

SCHEMBL10542453

CCCCCN1CC(C)N(C(=O)NC(C(=O)NC2CNC2=O)c2cccs2)C(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 8/20 0.36
▸ ASAH1 Q13510 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL11291088 1.00 NAAA (0.36) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL11289228 1.00 NAAA (0.36) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL10541610 0.86 NAAA (0.37) NAAAASAH1ALDH1A1CTSLOXTR
SCHEMBL10546563 0.85 NAAA (0.39) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL10544310 0.85 ALDH1A1 (0.32) ALDH1A1OXTR
SCHEMBL10543252 0.80 NAAA (0.40) NAAAASAH1ALDH1A1CTSLCCR2
SCHEMBL11208661 0.79 ALDH1A1 (0.37) ALDH1A1OXTR
SCHEMBL11290317 0.79 ALDH1A1 (0.37) ALDH1A1OXTR
SCHEMBL11208658 0.79 ALDH1A1 (0.37) ALDH1A1OXTR
SCHEMBL10544136 0.78 MAPT (0.38) NAAAALDH1A1CTSLOXTRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
US-4725591-A USED WITH AMINO ACID DERIVATIVE ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 — — US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
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