SCHEMBL10697523

SCHEMBL10697523

CCCCCOOC=C(C)C(=O)OCCOC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 2/20 0.38
FAAH O00519 2/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACHE P22303 5/20 0.34
CES2 O00748 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL10699694 0.98 TSHR (0.45) TSHRHCAR2FAAHNAAADGKA
SCHEMBL9863424 0.95 ALDH1A1 (0.39) TSHRHCAR2FAAHDGKAALDH1A1
SCHEMBL10697528 0.78 TSHR (0.33) TSHRHCAR2FAAHCES2
SCHEMBL10698706 0.78 TSHR (0.33) TSHRHCAR2FAAHCES2
SCHEMBL10699697 0.77 TSHR (0.36) TSHRHCAR2FAAHNAAACES2
SCHEMBL10697692 0.77 TSHR (0.36) TSHRHCAR2FAAHNAAACES2
SCHEMBL10701514 0.75 HCAR2 (0.56) TSHRHCAR2NAAADGKANPSR1
SCHEMBL10699808 0.74 HCAR2 (0.57) TSHRHCAR2NAAADGKANPSR1
SCHEMBL27887656 0.74 TSHR (0.55) TSHRHCAR2FAAHNAAAALDH1A1
SCHEMBL9863427 0.74 ALDH1A1 (0.33) HCAR2FAAHALDH1A1

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-0289933-A2 Graft polymerization precurser and method manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0277608-A2 Graft polymerization preformer and method of manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-08-10 EP disclosed