SCHEMBL9356965

SCHEMBL9356965

C[C@@H](O)[C@H]1C(=O)N2C(OC(=O)O)=C(CC3CCOC3)S[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
ELANE P08246 3/20 0.34
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL9728179 1.00 MEN1 (0.41) MEN1KMT2APTGS1ELANEERCC5
SCHEMBL8429049 0.84 MEN1 (0.53) MEN1KMT2APTGS1ELANEERCC5
SCHEMBL9530028 0.78 ELANE (0.39) MEN1KMT2APTGS1ELANE
SCHEMBL9851178 0.77 MEN1 (0.40) MEN1KMT2APTGS1ELANE
SCHEMBL7831624 0.72 MEN1 (0.36) MEN1KMT2APTGS1ELANE
SCHEMBL7821814 0.72 KMT2A (0.36) MEN1KMT2APTGS1ELANE
SCHEMBL7812775 0.72 ELANE (0.35) MEN1KMT2APTGS1ELANE
SCHEMBL7834655 0.71 MEN1 (0.38) MEN1KMT2APTGS1ELANE
SCHEMBL10808659 0.71 MEN1 (0.43) MEN1KMT2APTGS1ELANE
SCHEMBL7836448 0.71 MEN1 (0.39) MEN1KMT2APTGS1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273747-B1 Penem derivatives, production and use thereof SUNTORY LTD (JP) 1994-12-07 EP claimed
EP-0273747-B1 Penem derivatives, production and use thereof SUNTORY LTD (JP) 1994-12-07 EP disclosed