SCHEMBL28343444

SCHEMBL28343444

CCCCCCCCCC(Cl)OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
FAAH O00519 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
LMNA P02545 2/20 0.41
CA2 P00918 1/20 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
SCHEMBL28187499 1.00 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27602895 0.98 GPR84 (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7207181 0.92 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL31302713 0.90 PPARG (0.50) FFAR1MAPTPPARDFFAR4FAAH
SCHEMBL31302726 0.90 PPARG (0.50) FFAR1MAPTPPARDFFAR4FAAH
SCHEMBL31112441 0.84 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28876599 0.84 FAAH (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5694212 0.84 FAAH (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL31112442 0.84 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL21811922 0.84 FAAH (0.47) GPR84FFAR1MAPTLCKPPARD

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-110709393-A Inhibitors of LDHA activity 阿克蒂克制药股份有限公司 2020-01-17 CN disclosed