SCHEMBL28957745

SCHEMBL28957745

C=C(C)C(=O)OCCCCCCCCCCCCCCCC.CC=CC

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.86
THRB P10828 1/20 0.50
NAAA Q02083 1/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL28194008 1.00 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1
Propene SCHEMBL28098866 0.93 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL11775454 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL6049731 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL9718629 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL22579031 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL14995 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL6655183 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL15200 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL1977194 0.93 TSHR (1.00) TSHRTHRBNAAAPOLBAPEX1

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-110072936-A Curable polymer latex composition for rubber product manufacture 昕特玛私人有限公司 2019-07-30 CN disclosed