SCHEMBL18175962

SCHEMBL18175962

C=C(C)OC(=O)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OR51E2 Q9H255 1/20 0.39
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL27119 0.83 TSHR (0.45) HSD17B10TDP1OR51E2TSHRTGFBR1
SCHEMBL145358 0.81 ALDH1A1 (0.43) HSD17B10TDP1OR51E2TSHRUSP2
Ethylene SCHEMBL15065634 0.80 OR51E2 (0.46) OR51E2
SCHEMBL93977 0.80 OR51E2 (0.50) TDP1OR51E2LMNA
Alcohol SCHEMBL6238241 0.78 OR51E2 (0.43) HSD17B10TDP1OR51E2TSHRLMNA
Propane SCHEMBL21814344 0.78 OR51E2 (0.43) HSD17B10TDP1OR51E2TSHRLMNA
Water SCHEMBL22418485 0.78 OR51E2 (0.55) OR51E2LMNA
SCHEMBL4985589 0.78 OR51E2 (0.48) OR51E2LMNA
SCHEMBL6249794 0.78 OR51E2 (0.48) OR51E2LMNA
Propene SCHEMBL478385 0.77 OR51E2 (0.39) OR51E2TSHRUSP2LMNACYP3A4

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-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 EP disclosed