SCHEMBL10698706

SCHEMBL10698706

CCCCCOOC=C(C)C(=O)OC(C)(C)OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HCAR2 Q8TDS4 2/20 0.33
CES2 O00748 1/20 0.32
FAAH O00519 2/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10697692 0.99 TSHR (0.36) TSHRHCAR2CES2FAAHTHRA
SCHEMBL10697688 0.89 TSHR (0.36) TSHRHCAR2CES2FAAH
SCHEMBL10697523 0.78 TSHR (0.42) TSHRHCAR2CES2FAAH
SCHEMBL10698748 0.77 ALDH1A1 (0.33) TSHR
SCHEMBL10699694 0.77 TSHR (0.45) TSHRHCAR2CES2FAAH
SCHEMBL10697528 0.75 TSHR (0.33) TSHRHCAR2CES2FAAH
SCHEMBL8762563 0.74
SCHEMBL10699697 0.74 TSHR (0.36) TSHRHCAR2CES2FAAH
SCHEMBL8593909 0.74 NAAA (0.37) TSHRHCAR2CES2GMNNUSP2
SCHEMBL9863424 0.74 ALDH1A1 (0.39) TSHRHCAR2FAAHTHRB

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