SCHEMBL30360643

SCHEMBL30360643

C=C(C)C(=O)OCCCC(C)CCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
BLM P54132 1/20 0.44
PTPN1 P18031 4/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN2 P17706 2/20 0.34
CDC25B P30305 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ACE2 Q9BYF1 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL25220357 0.92 TSHR (0.52) TSHRBLMPTPN1THRBLMNA
SCHEMBL5941686 0.92 TSHR (0.52) TSHRBLMPTPN1THRBLMNA
SCHEMBL383961 0.91 TSHR (0.59) TSHRBLMPTPN1THRBTDP1
SCHEMBL31589103 0.86 TSHR (0.62) TSHRPTPN1THRBTDP1POLB
SCHEMBL382201 0.86 TSHR (0.61) TSHRBLMPTPN1THRBLMNA
SCHEMBL27509922 0.85 TSHR (0.51) TSHRBLMPTPN1THRBTDP1
SCHEMBL27892227 0.85 TSHR (0.51) TSHRBLMPTPN1THRBTDP1
SCHEMBL11531013 0.85 TSHR (0.61) TSHRPTPN1THRBTDP1POLB
SCHEMBL9947749 0.84 TSHR (0.65) TSHRPTPN1THRBTDP1POLB
SCHEMBL30338 0.84 TSHR (0.65) TSHRPTPN1THRBTDP1POLB

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-115897238-A Waterproof and oilproof emulsion for textile and preparation method thereof 刘涛 2023-04-04 CN disclosed