SCHEMBL28484657

SCHEMBL28484657

CCCCCCCCCCCCCC(=O)c1cc(C(=O)O)ccc1C(=O)O.CCCCCCCCCCCCCC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.53
HTT P42858 1/20 0.53
PTPN11 Q06124 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
LTC4S Q16873 1/20 0.48

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
Tridecane SCHEMBL27836215 0.89 TP53 (0.57) PTPN11TP53TSHRPLA2G4B
Dodecane SCHEMBL7587924 0.89 TP53 (0.57) PTPN11TP53TSHRPLA2G4B
Stearic Acid SCHEMBL31233978 0.88 GPR84 (0.53) PTPN11TP53TSHR
SCHEMBL10728714 0.86 HSD17B3 (0.55) HSD17B3HTTTP53TSHRPLA2G4B
Octadecanoic Acid Amide SCHEMBL1799708 0.86 PTPN11 (0.49) PTPN11TP53TSHRPLA2G4B
SCHEMBL17831005 0.85 HSD17B3 (0.62) HSD17B3HTT
SCHEMBL22852644 0.84 HTT (0.53) HSD17B3HTTPTPN11
SCHEMBL8071209 0.84 HTT (0.50) HTTPTPN11TP53TSHRPLA2G4B
SCHEMBL28480360 0.83 HTT (0.53) HSD17B3HTTTSHR
SCHEMBL11320754 0.83 HTT (0.51) HSD17B3HTT

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-109267167-B Preparation method of antifouling fabric for clothing production 宁波维尼服饰有限公司 2020-11-24 CN claimed
CN-109267167-B Preparation method of antifouling fabric for clothing production 宁波维尼服饰有限公司 2020-11-24 CN disclosed