Sugi Predict

Sugi Predict / Compounds / SCHEMBL27872174

SCHEMBL27872174

SCHEMBL27872174

CCCCCC(=O)c1ccc(ON)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.49
▸ HSD17B3 P37058 7/20 0.49
▸ STS P08842 4/20 0.46
▸ THRA P10827 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ S1PR3 Q99500 1/20 0.43

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
SCHEMBL9233718 0.88 HSD17B3 (0.50) PTPN11HSD17B3STSTHRATHRB
SCHEMBL17223796 0.86 PTPN11 (0.52) PTPN11HSD17B3STSTHRATHRB
SCHEMBL10729104 0.86 THRA (0.54) PTPN11HSD17B3THRATHRB
SCHEMBL13959165 0.84 KDM4E (0.57) PTPN11HSD17B3STSTHRATHRB
SCHEMBL7885139 0.84 CFD (0.52) PTPN11HSD17B3THRATHRBS1PR3
SCHEMBL6470481 0.83 PDE4D (0.54) PTPN11HSD17B3THRATHRB
SCHEMBL14797577 0.81 PTPN11 (0.47) PTPN11HSD17B3STSTHRATHRB
SCHEMBL23748657 0.80 HSD17B3 (0.54) HSD17B3STSTHRATHRB
SCHEMBL4263909 0.80 HSD17B3 (0.58) HSD17B3STS
SCHEMBL82454 0.78 KAT8 (0.60) HSD17B3STS

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-102481273-B Antimicrobial aminosalicylic acid derivatives BASF SE (DE) 2016-11-30 — — CN disclosed
CN-102481273-A Antimicrobial aminosalicylic acid derivatives BASF SE 2012-05-30 — — CN disclosed