SCHEMBL11001997

SCHEMBL11001997

CCOC(=O)C(CC)(CC)CC.[Si]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.61
CYP4A11 Q02928 3/20 0.61
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.39
PIN1 Q13526 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL444076 0.97 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL28872935 0.95 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL49875 0.95 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL8176760 0.92 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Bromide SCHEMBL25233680 0.92 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Ethylenediamine SCHEMBL3498869 0.88 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL504042 0.88 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL27722697 0.88 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL20512103 0.85 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL5000137 0.85 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10

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
US-4560790-A Process for synthesizing α,β-ethylenically unsaturated products using a multicomponent acidic catalyst composition EXXON RESEARCH & ENGINEERING CO. (US) 1985-12-24 US disclosed
EP-0111998-A1 Process for synthesizing a multicomponent acidic catalyst composition by an organic solution method EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-06-27 EP disclosed
US-4430252-A ALDEHYDE, KETONE OR ETHER SOLVENT; METAL HYDROCARBOXIDES; PHOSPHORUS-OXYGEN COMPOUND EXXON RESEARCH & ENGINEERING CO. (US) 1984-02-07 US disclosed