SCHEMBL9595995

SCHEMBL9595995

C=CCOC(=O)NCC1=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@H]2S1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
ELANE P08246 9/20 0.40
CASP1 P29466 1/20 0.37
FAAH O00519 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL9525141 0.84 CASP1 (0.34) MEN1KMT2APTGS1ELANECASP1
SCHEMBL9596958 0.84 ELANE (0.44) MEN1KMT2APTGS1ELANE
SCHEMBL11468253 0.82 ELANE (0.47) MEN1KMT2APTGS1ELANECASP1
SCHEMBL10694393 0.81 ELANE (0.40) ELANECASP1FAAH
SCHEMBL10788570 0.79 MEN1 (0.50) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10793112 0.79 MEN1 (0.50) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10792684 0.78 MEN1 (0.46) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL10991951 0.77 ELANE (0.39) MEN1KMT2APTGS1ELANECASP1
SCHEMBL10791506 0.77 MEN1 (0.48) MEN1KMT2APTGS1ELANEKDM4E
SCHEMBL9595347 0.77 CASP1 (0.38) MEN1KMT2AELANECASP1FAAH

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
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
US-5153315-A Penicilllin deriviatives CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4962196-A (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates CIBA-GEIGY CORPORATION (US) 1990-10-09 US disclosed