SCHEMBL28083231

SCHEMBL28083231

C=C(C)C(=O)OC(COCCC)OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLA2G2C Q5R387 2/20 0.32
USP2 O75604 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL7591794 0.86 TSHR (0.48) THRBTSHRALDH1A1TDP1
SCHEMBL9421578 0.84 THRB (0.37) THRBTSHRHSD17B10ALDH1A1TDP1
SCHEMBL4063408 0.84 TDP1 (0.50) THRBTSHRHSD17B10ALDH1A1TDP1
SCHEMBL9421555 0.81 THRB (0.38) THRBTSHRHTT
SCHEMBL9421559 0.81 THRB (0.38) THRBTSHRHTT
SCHEMBL9421569 0.81 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL11210683 0.81 TSHR (0.42) THRBTSHRHSD17B10USP2
SCHEMBL11252889 0.80 TDP1 (0.54) THRBTSHRHSD17B10ALDH1A1TDP1
SCHEMBL4067172 0.80 THRB (0.39) THRBTSHRHSD17B10ALDH1A1TDP1
SCHEMBL4815158 0.80 TDP1 (0.54) THRBTSHRHSD17B10ALDH1A1TDP1

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-104004196-B A kind of preparation method and applications of degradable over-branched polyamidoamine 健雄职业技术学院 2016-08-31 CN claimed
CN-104004196-B A kind of preparation method and applications of degradable over-branched polyamidoamine 健雄职业技术学院 2016-08-31 CN disclosed