SCHEMBL9533064

SCHEMBL9533064

CCCCC(C(=O)O)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
MAPK1 P28482 1/20 0.52
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 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
Hydrochloric Acid SCHEMBL28238405 0.98 CA2 (0.50) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL28104759 0.91 GPR84 (0.57) CA2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL39527 0.90 ALDH1A1 (0.46) CA2MAPK1GPR84FFAR1ALDH1A1
SCHEMBL4318394 0.85 CHRM1 (0.52) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL39429 0.85 CA2 (0.61) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL12961264 0.83 GPR84 (0.46) CA2GPR84FFAR1MAPTLCK
SCHEMBL108613 0.82 CA2 (0.58) CA2MAPK1GPR84FFAR1SLC1A2
Lithium SCHEMBL31299620 0.82 CA2 (0.58) CA2MAPK1GPR84FFAR1SLC1A2
Hydrochloric Acid SCHEMBL628996 0.82 CA2 (0.58) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL31299662 0.82 CA2 (0.58) CA2MAPK1GPR84FFAR1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed