SCHEMBL9129442

SCHEMBL9129442

C=CCOC(=O)SNCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 2/20 0.33
CASP1 P29466 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ABCC4 O15439 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 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
SCHEMBL9646195 0.89 MAPT (0.33) MAPTCACNA1BAPBA1
SCHEMBL8918344 0.84 ALDH1A1 (0.43) MAPTCASP1HSD17B10ALDH1A1
SCHEMBL28442159 0.75 EGLN1 (0.47) HSD17B10ALOX15SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL527804 0.71 TSHR (0.47) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL4680857 0.71 CASP1 (0.45) MAPTCACNA1BAPBA1CYP3A4CASP1
SCHEMBL9435890 0.71 CYP3A4 (0.48) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL8672977 0.70 TSHR (0.46) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL2659946 0.70 CYP3A4 (0.44) MAPTCACNA1BAPBA1CYP3A4TSHR
Malonic Acid SCHEMBL31256740 0.70 TSHR (0.46) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL309469 0.70 TSHR (0.46) MAPTCACNA1BAPBA1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215739-B1 SYNTHESIS OF BETA-LACTAM COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-01 EP claimed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US claimed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 EP claimed
EP-0215739-A1 Synthesis of beta-lactam compounds CIBA-GEIGY AG (CH) 1987-03-25 EP claimed
US-5463047-A Intermediates for the manufacture of 4-acyloxy-3-hydroxyethylazetidinones CIBA-GEIGY CORPORATION (US) 1995-10-31 US disclosed
US-5386029-A Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1995-01-31 US disclosed
US-5274188-A Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5064761-A PROCESS FOR THE MANUFACTURE OF 4-ACYLAMINO-3-HYDROXYBUTYRIC ACID ESTERS CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-4927507-A Novel process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones CIBA-GEIGY CORPORATION (US) 1990-05-22 US disclosed
EP-0279781-A2 Process for the preparation of 4-acetoxy-3-hydroxyethyl-acetidinone CIBA-GEIGY AG (CH) 1988-08-24 EP disclosed