SCHEMBL8084083

SCHEMBL8084083

CCCCC(CC)CC(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CA2 P00918 6/20 0.52
GPR84 Q9NQS5 4/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL4440711 0.98 ALDH1A1 (0.54) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL140442 0.98 ALDH1A1 (0.54) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL9176596 0.98 ALDH1A1 (0.54) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL28994506 0.96 ALDH1A1 (0.52) ALDH1A1CA2GPR84MAPK1CYP3A4
Hydrochloric Acid SCHEMBL10578864 0.96 ALDH1A1 (0.52) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL8681836 0.96 ALDH1A1 (0.52) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL28391062 0.96 ALDH1A1 (0.52) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL10617533 0.96 ALDH1A1 (0.52) ALDH1A1CA2GPR84MAPK1CYP3A4
SCHEMBL187503 0.91 GPR84 (0.59) ALDH1A1CA2GPR84MAPK1TSHR
SCHEMBL25275876 0.89 GPR84 (0.62) ALDH1A1GPR84TSHRTDP1

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-0574940-B1 Method for removing the protecting group for carboxyl group TANABE SEIYAKU CO (JP) 2000-09-20 EP disclosed
US-5587474-A FOR PENEM COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1996-12-24 US disclosed
EP-0574940-A1 Method for removing the protecting group for carboxyl group TANABE SEIYAKU CO., LTD. (JP) 1993-12-22 EP disclosed
US-4451399-A OF PENICILLINS AND CEPHALOSPORINS AJINOMOTO COMPANY, INC. (JP) 1984-05-29 US disclosed
EP-0023045-B1 IMIDAZOLECARBOXYLIC ACID DERIVATIVES OF PENICILLINS AND CEPHALOSPORINS AJINOMOTO CO., INC. (JP) 1984-04-11 EP disclosed
EP-0019067-B1 5,10-DIOXO-5,10-DIHYDRODIIMIDAZO(1,5-A,1',5'-D)PYRAZINE-1,6-DICARBOXYLIC ACID AND A PROCESS FOR PRODUCING IMIDAZOLEDICARBOXYLIC ACID AMIDO-DERIVATIVES AJINOMOTO CO., INC. (JP) 1982-10-06 EP disclosed
US-4297279-A CHEMICAL INTERMEDIATE FOR MODIFIED A-AMINOPENICILLINS AND -CEPHALOSPORINS AJINOMOTO CO., INC. (JP) 1981-10-27 US disclosed
EP-0023045-A1 Imidazolecarboxylic acid derivatives of penicillins and cephalosporins AJINOMOTO CO., INC. (JP) 1981-01-28 EP disclosed
EP-0019067-A1 5,10-Dioxo-5,10-dihydrodiimidazo(1,5-a,1',5'-d)pyrazine-1,6-dicarboxylic acid and a process for producing imidazoledicarboxylic acid amido-derivatives AJINOMOTO CO., INC. (JP) 1980-11-26 EP disclosed
US-4217450-A ANTIBIOTICS, BACTERICIDES AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-12 US disclosed