SCHEMBL8918349

SCHEMBL8918349

C1CCC(NC2CCCCC2)CC1.C=CCOC(=O)NCC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
EPHX1 P07099 2/20 0.35
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL29401151 0.90 ALDH1A1 (0.47) ALDH1A1GAACASP1NPSR1NPC1
SCHEMBL9129459 0.84 MEN1 (0.38) ALDH1A1CASP1MAPTMEN1KMT2A
Bicarbonate SCHEMBL8397677 0.77 ALDH1A1 (0.58) ALDH1A1GAACASP1NPC1RAB9A
SCHEMBL9487720 0.77 ALDH1A1 (0.61) ALDH1A1GAANPSR1NPC1RAB9A
SCHEMBL20858637 0.77 ALDH1A1 (0.61) ALDH1A1GAANPSR1NPC1RAB9A
SCHEMBL8918344 0.74 ALDH1A1 (0.43) ALDH1A1GAACASP1NPSR1NPC1
SCHEMBL29398811 0.73 CASP1 (0.47) ALDH1A1GAACASP1NPSR1MAPT
SCHEMBL4680857 0.72 CASP1 (0.45) CASP1MAPTMEN1KMT2A
SCHEMBL19672930 0.71 MEN1 (0.38) ALDH1A1CASP1MAPTMEN1KMT2A
SCHEMBL27814238 0.69 ABCC4 (0.62) ALDH1A1GAAMAPTLMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625059-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORPORATION (US) 1997-04-29 US disclosed
US-5312914-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORP (US) 1994-05-17 US disclosed
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