SCHEMBL21168501

SCHEMBL21168501

CCCCCCCC(C)[C@@H]1C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39

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
SCHEMBL9655849 0.88 ACE2 (0.37) ACE2GPR84FFAR1MAPTLCK
SCHEMBL22548606 0.82 ACE2 (0.40) ACE2GPR84FFAR1MAPTLCK
SCHEMBL7360984 0.79 GPR84 (0.43) ACE2GPR84FFAR1MAPTLCK
SCHEMBL7364671 0.74 SLC1A2 (0.44) GPR84FFAR1CYP2C9CYP2C19GRM8
SCHEMBL8922459 0.72 ALOX5 (0.60) GPR84FFAR1PPARDFFAR4MEN1
SCHEMBL327612 0.68
SCHEMBL12986445 0.68
SCHEMBL12985560 0.68
SCHEMBL14963186 0.68
SCHEMBL13089679 0.68

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
EP-3221290-B1 2-OCTYLCYCLOPROPYL-1-CARBOXYLIC ACID AND THE ISOMERS THEREOF, AND USES OF SAME ALBERT VIEILLE (FR) 2019-07-17 EP disclosed