SCHEMBL9831941

SCHEMBL9831941

CCSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 2/20 0.49
ATM Q13315 1/20 0.49
FNTA P49354 9/20 0.47
FNTB P49356 9/20 0.47
PGGT1B P53609 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSV O60911 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL9831936 1.00 TAS1R3 (0.56) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL4955422 0.87 ALDH1A1 (0.53) MEN1KMT2AFNTAFNTBUSP2
SCHEMBL9830017 0.87 ALDH1A1 (0.53) MEN1KMT2AFNTAFNTBUSP2
SCHEMBL10660362 0.85 TAS1R3 (0.72) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL10660357 0.85 TAS1R3 (0.72) TAS1R3TAS1R1MEN1KMT2ACTSL
SCHEMBL9831590 0.84 CA2 (0.53) MEN1KMT2ASMN1; SMN2USP2ALDH1A1
SCHEMBL9831597 0.84 CA2 (0.53) MEN1KMT2ASMN1; SMN2USP2ALDH1A1
SCHEMBL9829708 0.83 CA2 (0.48) FNTAFNTBPGGT1BALDH1A1
SCHEMBL9829699 0.83 CA2 (0.48) FNTAFNTBPGGT1BALDH1A1
SCHEMBL9831838 0.80 TAS1R3 (0.58) TAS1R3TAS1R1MEN1KMT2ACTSL

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed