SCHEMBL7217427

SCHEMBL7217427

CCCCCC/C(=C/Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
APEX1 P27695 2/20 0.46
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
PPARG P37231 2/20 0.44
LMNA P02545 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43

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
SCHEMBL9781732 1.00 TDP1 (0.47) TDP1CES2CES1APEX1PTGES
SCHEMBL9781736 1.00 TDP1 (0.47) TDP1CES2CES1APEX1PTGES
SCHEMBL578944 1.00 TDP1 (0.47) TDP1CES2CES1APEX1PTGES
SCHEMBL15921378 0.94 ALOX5 (0.49) TDP1CES2CES1APEX1PTGES
SCHEMBL2813286 0.87 CES2 (0.41) CES2CES1PTGESALOX5PPARG
SCHEMBL2813288 0.87 CES2 (0.41) CES2CES1PTGESALOX5PPARG
SCHEMBL6677695 0.83 ALDH1A1 (0.36) PTGESALOX5PPARGMEN1KMT2A
SCHEMBL10816784 0.82 POLB (0.42) CES2CES1APEX1PTGESALOX5
SCHEMBL691461 0.80 RECQL (0.39) TDP1CES2CES1PTGESALOX5
SCHEMBL2807242 0.80 RECQL (0.39) TDP1CES2CES1PTGESALOX5

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-1177227-B1 WATER PLASTICIZED HIGH REFRACTIVE INDEX POLYMER FOR OPHTHALMIC APPLICATIONS SURGIDEV CORP (US) 2003-10-01 EP claimed