SCHEMBL8918344

SCHEMBL8918344

C1CCC(NC2CCCCC2)CC1.C=CCOC(=O)SNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
EPHX2 P34913 2/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 3/20 0.31

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
SCHEMBL9129442 0.84 MAPT (0.36) ALDH1A1MAPTCASP1HSD17B10
SCHEMBL29401151 0.81 ALDH1A1 (0.47) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL9646195 0.75 MAPT (0.33) MAPT
SCHEMBL8918349 0.74 ALDH1A1 (0.46) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL2028036 0.71 LMNA (0.44) ALDH1A1GAANPC1THRBATM
Malonic Acid SCHEMBL11176995 0.69 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9ATHRB
Bicarbonate SCHEMBL8397677 0.68 ALDH1A1 (0.58) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL20858637 0.67 ALDH1A1 (0.61) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL9487720 0.67 ALDH1A1 (0.61) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL27814238 0.66 ABCC4 (0.62) ALDH1A1GAAMAPTLMNAEPHX2

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