SCHEMBL10543701

SCHEMBL10543701

CCCCCCCCN1CCN(C(=O)NC(C(=O)O)c2cccs2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ OPRM1 P35372 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL10544600 0.96 ALDH1A1 (0.40) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL10721545 0.92 ALDH1A1 (0.39) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL11179902 0.92 ALDH1A1 (0.46) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL10721549 0.91 ALDH1A1 (0.38) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL10643935 0.91 ALDH1A1 (0.39) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL10643944 0.90 ALDH1A1 (0.39) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL9685758 0.87 HDAC1 (0.43) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL10546644 0.85 ALDH1A1 (0.38) ALDH1A1OPRM1MAPK1OPRD1KMT2A
SCHEMBL11603305 0.84 NAAA (0.40) ALDH1A1KMT2AMEN1
SCHEMBL11607687 0.84 NAAA (0.40) ALDH1A1KMT2AMEN1

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 6 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
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 — — EP disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
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