SCHEMBL10698885

SCHEMBL10698885

CCCCCCCCCCCCCCCCOC(C)C(OC(C)=O)[C](C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.39
PRKCA P17252 2/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
FAAH O00519 1/20 0.36
EPHX1 P07099 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
SCHEMBL9837662 0.80 TSHR (0.42) CES2LMNATSHRPRKCANAAA
SCHEMBL8103942 0.79 CES2 (0.46) CES2LMNATSHRPRKCANAAA
SCHEMBL5192045 0.79 CES2 (0.46) CES2LMNATSHRPRKCANAAA
SCHEMBL9469680 0.79 PRKCA (0.43) CES2LMNATSHRPRKCAFAAH
SCHEMBL27969815 0.77 ALDH1A1 (0.48) CES2LMNATSHRPRKCAALDH1A1
SCHEMBL12154402 0.75 ALDH1A1 (0.52) CES2LMNATSHRPRKCANAAA
SCHEMBL10591201 0.75 HCAR2 (0.41) CES2TSHRNAAADNM1HCAR2
SCHEMBL10590620 0.75 HCAR2 (0.41) CES2TSHRNAAADNM1HCAR2
SCHEMBL10593296 0.75 HCAR2 (0.41) CES2TSHRNAAADNM1HCAR2
SCHEMBL10592752 0.75 HCAR2 (0.41) CES2TSHRNAAADNM1HCAR2

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-0284395-A2 Novel glycerol derivative and anti-hypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1988-09-28 EP disclosed