SCHEMBL28514930

SCHEMBL28514930

C=C(C)C(=O)OCCN(C)C.C=CC(=O)OCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DNM1 Q05193 1/20 0.34

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
SCHEMBL9506277 0.92 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28123718 0.92 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1538397 0.91 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5025146 0.90 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9770098 0.90 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL27553840 0.89 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5998966 0.89 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28328305 0.88 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
Methacrylic Acid SCHEMBL28076204 0.87 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3274720 0.87 TSHR (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547366-A Detergent composition and cleaning method 诺维信公司 2023-08-04 CN disclosed
CN-113795578-A Liquid dishwashing detergent composition 诺维信公司 2021-12-14 CN disclosed
CN-107743421-B Apparatus and method for applying a composition to a surface 宝洁公司 2021-02-09 CN disclosed