SCHEMBL28314532

SCHEMBL28314532

CCCCCCCC(C)C(C)(C(=O)O)C(=O)O.[KH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 2/20 0.46
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA2 P00918 1/20 0.43
HSPD1 P10809 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CA1 P00915 2/20 0.41

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
SCHEMBL28314705 1.00 ACE2 (0.46) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21268925 0.98 ACE2 (0.47) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21269080 0.98 ACE2 (0.47) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21269252 0.98 ACE2 (0.47) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21269579 0.98 ACE2 (0.47) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28314428 0.98 ACE2 (0.43) ACE2GPR84FFAR1MAPTLCK
SCHEMBL10549980 0.96 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21269641 0.96 ACE2 (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL11582011 0.96 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21269850 0.96 ACE2 (0.44) ACE2GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN claimed