SCHEMBL10698322

SCHEMBL10698322

C=C(C)C(OOCCCC)OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
CES2 O00748 2/20 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
SCHEMBL10698196 0.94 TSHR (0.44) TSHRHCAR2CES2
SCHEMBL10698317 0.88 ALDH1A1 (0.38) ALDH1A1TSHRHPGDATMCES2
SCHEMBL10698192 0.82 TSHR (0.45) TSHRCES2
SCHEMBL4963102 0.73 TSHR (0.41) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL28353990 0.72 ALDH1A1 (0.35) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL3761782 0.72
SCHEMBL27136179 0.71 ALDH1A1 (0.34) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL10694994 0.71 LMNA (0.47) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL11224059 0.70 SMPD1 (0.42)
SCHEMBL9863430 0.70 TSHR (0.43) ALDH1A1TSHRHPGDHCAR2ATM

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