SCHEMBL28547369

SCHEMBL28547369

C=CC(=O)OCCC[C](C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.65
ALDH1A1 P00352 6/20 0.65
CYP3A4 P08684 2/20 0.65
HPGD P15428 1/20 0.64
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 3/20 0.37
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16405347 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3939041 0.87 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8460859 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16405350 0.83 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.82 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL321925 0.82 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15249365 0.82 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27521653 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30097983 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7067654 0.81 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53

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-109126208-B Non-woven fabric and application thereof in oil-water emulsion separation 广东省测试分析研究所(中国广州分析测试中心) 2021-02-05 CN claimed
CN-109126208-B Non-woven fabric and application thereof in oil-water emulsion separation 广东省测试分析研究所(中国广州分析测试中心) 2021-02-05 CN disclosed