SCHEMBL28091702

SCHEMBL28091702

C=C(C)C(=O)OC.OCCCCCCCCCCO

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 4/20 0.44
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACHE P22303 6/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
1,5-Pentanediol SCHEMBL28202978 1.00 ALDH1A1 (0.68) ALDH1A1TSHRCYP4F2CYP4A11TDP1
1,4-Butanediol SCHEMBL28856747 0.98 ALDH1A1 (0.71) ALDH1A1TSHRCYP4F2CYP4A11TDP1
1,3-Propanediol SCHEMBL28534186 0.93 ALDH1A1 (0.71) ALDH1A1TSHRCYP4F2CYP4A11TDP1
Ethylene Glycol SCHEMBL335787 0.88 ALDH1A1 (0.79) ALDH1A1TSHRTDP1THRBHSD17B10
Ethylene Glycol SCHEMBL704710 0.88 ALDH1A1 (0.79) ALDH1A1TSHRTDP1THRBHSD17B10
Butyl Alcohol SCHEMBL20566101 0.87 ALDH1A1 (0.62) ALDH1A1TSHRTHRBACHELMNA
Ethylene Glycol SCHEMBL28057960 0.86 ALDH1A1 (0.75) ALDH1A1TSHRTDP1THRBHSD17B10
Ethylene Glycol SCHEMBL21715453 0.86 ALDH1A1 (0.75) ALDH1A1TSHRTDP1THRBHSD17B10
Propanol SCHEMBL9442818 0.84 ALDH1A1 (0.71) ALDH1A1TSHRTDP1THRBACHE
SCHEMBL5366047 0.84 ALDH1A1 (0.58) ALDH1A1TSHRTDP1THRBACHE

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
CN-105829101-A RESIN LAMINATE AND PRODUCTION METHOD THEREFOR 三菱丽阳株式会社 2016-08-03 CN disclosed