SCHEMBL9825313

SCHEMBL9825313

CCOC(=O)C(C)(C)CCCCOC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.36
TBXAS1 P24557 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34

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
SCHEMBL20371020 0.86 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL28461478 0.86 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL3040974 0.85 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL6254544 0.85 CYP4F2 (0.85) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL6257314 0.85 CYP4F2 (0.85) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL17756701 0.84 CYP4F2 (0.83) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL17746737 0.84 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1PKMTHRB
SCHEMBL17746745 0.84 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL17746731 0.84 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL17756696 0.83 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1PKMTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111997-B1 VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
US-4518602-A Vinyl carboxylic acid derivatives, their production and use as inhibitors of thromboxane synthetase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-21 US disclosed
EP-0111997-A2 Vinyl carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-06-27 EP disclosed