SCHEMBL9748938

SCHEMBL9748938

CC=C(NC(=O)CCCCC)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
FAAH O00519 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
AKR1B1 P15121 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL9748933 1.00 HSP90AA1 (0.50) HSP90AA1FAAHALDH1A1MAPTAKR1B1
SCHEMBL9748930 1.00 HSP90AA1 (0.50) HSP90AA1FAAHALDH1A1MAPTAKR1B1
SCHEMBL9748228 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL9748958 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL15475470 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL9748235 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL9748950 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL11166892 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL15475400 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL9748226 0.98 HSP90AA1 (0.53) HSP90AA1FAAHALDH1A1MEN1MAPK1

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 13 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
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
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