SCHEMBL31327007

SCHEMBL31327007

CCCCc1cc(CC(CCC(Cc2cc(CCCC)c(O)c(CCCC)c2)C(=O)O)C(=O)O)cc(CCCC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.48
PTGES O14684 5/20 0.48
ALOX5 P09917 5/20 0.48
EGFR P00533 1/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
TYR P14679 1/20 0.39
FOLH1 Q04609 3/20 0.39
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
CPA3 P15088 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL9449134 0.95 PPARG (0.47) PPARGPTGESALOX5EGFRCA2
SCHEMBL1271148 0.93 PPARG (0.48) PPARGPTGESALOX5EGFRCA2
SCHEMBL18396181 0.93 PPARG (0.48) PPARGPTGESALOX5EGFRCA2
SCHEMBL2023493 0.90 PPARG (0.46) PPARGPTGESALOX5EGFRCA2
SCHEMBL9759730 0.87 PTGES (0.40) PPARGPTGESALOX5EGFRCA2
SCHEMBL7211982 0.87 PPARG (0.40) PPARGPTGESALOX5EGFRCA2
SCHEMBL9936735 0.86 PPARG (0.46) PPARGPTGESALOX5CA2MAPK1
SCHEMBL8517221 0.86 EGFR (0.43) PPARGPTGESALOX5EGFRMAPK1
SCHEMBL17491316 0.84 PPARG (0.47) PPARGPTGESALOX5CA2MAPK1
SCHEMBL17491256 0.84 PPARG (0.47) PPARGPTGESALOX5CA2MAPK1

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-119320324-A Phenylpropionic acid derivative, preparation method thereof, antioxidant and application thereof 南通大学 2025-01-17 CN claimed