SCHEMBL10690459

SCHEMBL10690459

C[C@@H](O)C1C(=O)N2C(C(=O)O)=C(CN)S[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 1/20 0.52
ELANE P08246 9/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 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
SCHEMBL8196510 1.00 MEN1 (0.52) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10694654 1.00 MEN1 (0.52) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL8916258 1.00 MEN1 (0.52) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10690451 1.00 MEN1 (0.52) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL11318898 1.00 MEN1 (0.52) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL11012542 0.87 MEN1 (0.53) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL9709970 0.87 MEN1 (0.53) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL11012540 0.87 MEN1 (0.53) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10401856 0.87 MEN1 (0.48) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10401857 0.87 MEN1 (0.48) MEN1KMT2APTGS1ELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761408-A PENICILLIN DERIVATIVES, BACTERICIDES CIBA-GEIGY CORPORATION (US) 1988-08-02 US disclosed