SCHEMBL28085576

SCHEMBL28085576

C=CC(=O)OCCC.CCCCCC(O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.41
HCAR2 Q8TDS4 4/20 0.41
ABCB1 P08183 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 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
SCHEMBL10950060 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1149352 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid SCHEMBL29172658 0.88 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
Dodecane SCHEMBL28135094 0.86 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20787945 0.85 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8089332 0.84 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28823508 0.84 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Methyl Ester SCHEMBL28078428 0.83 TSHR (0.47) TSHRHPGDTHRBABCB1GPR84
SCHEMBL10490990 0.82 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9711094 0.82 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428712-B Photocurable resin composition, its solidfied material and printed circuit board (PCB) 太阳油墨制造株式会社 2016-10-19 CN disclosed
CN-103299242-B Photocurable resin composition, its dry film and solidfied material and use their printed circuit board (PCB) 太阳油墨制造株式会社 2016-08-10 CN disclosed