SCHEMBL27281149

SCHEMBL27281149

CCCCC(C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GPR84 Q9NQS5 7/20 0.47
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
FFAR1 O14842 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
HSPD1 P10809 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL28081027 0.94 GPR84 (0.55) TDP1GPR84FFAR1SLC1A2SLC1A1
SCHEMBL29060815 0.92 GPR84 (0.58) TDP1GPR84FFAR1MAPTLCK
SCHEMBL28229645 0.89 TDP1 (0.45) TDP1GPR84CA2MAPK1FFAR1
SCHEMBL27672182 0.87 TDP1 (0.56) TDP1GPR84CA2MAPK1SLC1A3
SCHEMBL7740673 0.86 GPR84 (0.43) TDP1GPR84CA2MAPK1FFAR1
SCHEMBL8968888 0.85 TDP1 (0.61) TDP1GPR84CA2MAPK1FFAR1
SCHEMBL5962578 0.83 GPR84 (0.53) TDP1GPR84FFAR1MAPTLCK
SCHEMBL5962560 0.83 GPR84 (0.53) TDP1GPR84FFAR1MAPTLCK
SCHEMBL9066908 0.82 GPR84 (0.51) TDP1GPR84FFAR1MAPTLCK
SCHEMBL5962561 0.82 GPR84 (0.51) TDP1GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100408553-C Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the same SUMITOMO CHEMICAL CO (JP) 2008-08-06 CN disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
CN-1013368-B Insecticidal ether compound ICI PLC (GB) 1991-07-31 CN disclosed
CN-87107746-A Insecticidal ethers compound 1988-04-27 CN disclosed