SCHEMBL11179902

SCHEMBL11179902

CCCN1CCN(C(=O)NC(C(=O)O)c2cccs2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK1 P28482 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GFER P55789 1/20 0.35

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 0.94 ALDH1A1 (0.40) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10543701 0.92 ALDH1A1 (0.39) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL9685758 0.91 HDAC1 (0.43) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL11167302 0.85 TSHR (0.43) ALDH1A1MAPK1KMT2AMEN1USP2
SCHEMBL10643935 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10643944 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10721545 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10721549 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10721877 0.82 HDAC1 (0.41) ALDH1A1MAPK1OPRM1OPRD1KMT2A
SCHEMBL10721880 0.81 HDAC1 (0.43) ALDH1A1OPRM1KMT2AMEN1USP2

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-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 — — US disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 — — US disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 — — US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 — — US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 — — US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 — — US disclosed
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