SCHEMBL9750183

SCHEMBL9750183

CC=C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9750169 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9750180 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22669125 0.86 LMNA (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24534683 0.83 OGG1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9544520 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9544512 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9544506 0.82 KDM4E (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22505283 0.82 HDAC1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9747569 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9747559 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668504-A Use of substituted propenoates to prevent nephrotoxicity of certain antibiotics MERCK & CO., INC. (US) 1987-05-26 US claimed
CN-118184525-A Preparation method of N-substituted-2-amino acrylic ester 武汉轻工大学 2024-06-14 CN disclosed
CN-108586272-A A kind of preparation method of 3- aminopropanols or 3- alanine derivatives 浙江昌明药业有限公司 2018-09-28 CN disclosed
US-5147868-A For selectively inhibiting the metabolism of dipeptidase; useful in mixtures with bactericides MERCK & CO., INC. (US) 1992-09-15 US disclosed
US-5071843-A Thienamycin antibiotics with delayed metabolism MERCK & CO., INC. (US) 1991-12-10 US disclosed
EP-0161546-B1 COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1989-12-13 EP disclosed
US-4880793-A BACTERICIDES, UNSATURATED CARBOXYLIC ACID, AMIDES MERCK & CO., INC. (US) 1989-11-14 US disclosed
US-4668504-A Use of substituted propenoates to prevent nephrotoxicity of certain antibiotics MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4616038-A BACTERICIDES MERCK & CO., INC. (US) 1986-10-07 US disclosed
EP-0161546-A1 Combination of 2-substituted carbapenems with dipeptidase inhibitors MERCK & CO. INC. (US) 1985-11-21 EP disclosed
US-4539208-A Combination of thienamycin-type antibiotics with dipeptidase inhibitors MERCK & CO., INC. (US) 1985-09-03 US disclosed
EP-0010573-B1 NOVEL Z-2-ACYLAMINO-3-MONOSUBSTITUTED PROPENIC ACIDS AND THEIR ESTERS AND SALTS, AND PROCESSES FOR PREPARING THEM MERCK & CO. INC. (US) 1983-10-19 EP disclosed
EP-0072014-A1 Combination of 2-substituted penems with dipeptidase inhibitors MERCK & CO. INC. (US) 1983-02-16 EP disclosed
EP-0028778-A1 Antibacterial compositions comprising a beta-lactam-type compound and a 3-substituted propenoate MERCK & CO. INC. (US) 1981-05-20 EP disclosed
EP-0010573-A1 Novel Z-2-acylamino-3-monosubstituted propenic acids and their esters and salts, and processes for preparing them MERCK & CO. INC. (US) 1980-05-14 EP disclosed
EP-0007614-A1 An antibacterial composition of thienamycin-type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1980-02-06 EP disclosed