SCHEMBL9280452

SCHEMBL9280452

CCCCCCCCCCCCCCCCCCOCC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.53
TSHR P16473 3/20 0.50
CES1 P23141 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G4B P0C869 4/20 0.49
TP53 P04637 2/20 0.49
NAAA Q02083 1/20 0.49
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10497507 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL10497315 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL11366183 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL9695930 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL9414538 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL10435121 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL8889723 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL10498007 1.00 CES2 (0.53) CES2TSHRCES1LMNAALDH1A1
SCHEMBL524255 0.98 CES2 (0.50) CES2TSHRCES1LMNAALDH1A1
Pentane SCHEMBL28744442 0.97 CES2 (0.49) CES2TSHRCES1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256872-B2 Stabilized polyvinyl chloride resin composition KYOWA CHEM IND CO LTD (JP) 1995-11-15 EP disclosed
EP-0256872-A2 Stabilized polyvinyl chloride resin composition KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1988-02-24 EP disclosed