SCHEMBL5698374

SCHEMBL5698374

CCC(C(=O)O)=C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.52
CES2 O00748 3/20 0.52
LMNA P02545 2/20 0.47
ELANE P08246 1/20 0.46
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
BLM P54132 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL16111359 0.88 CES1 (0.48) CES1CES2LMNAELANETSHR
SCHEMBL16111356 0.88 CES1 (0.48) CES1CES2LMNAELANETSHR
SCHEMBL19127776 0.83 ESR1 (0.50) CES2LMNATSHRMAPTCYP3A4
Benzoic Acid SCHEMBL11306418 0.83 TSHR (0.61) CES1CES2LMNATSHRMAPT
SCHEMBL10615120 0.83 CES1 (0.52) CES1CES2LMNATSHRMAPT
SCHEMBL20564213 0.81 CES1 (0.50) CES1CES2LMNAELANETSHR
SCHEMBL5491615 0.81 CES1 (0.50) CES1CES2LMNAELANETSHR
SCHEMBL20564211 0.81 CES1 (0.50) CES1CES2LMNAELANETSHR
SCHEMBL4613506 0.81 CES2 (0.50) CES1CES2MAPTL3MBTL1SMN1; SMN2
SCHEMBL8408970 0.81 CES1 (0.50) CES1CES2LMNAELANETSHR

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-1144542-B1 POLYMER CEMENT ADDITIVE, CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2006-07-19 EP claimed