Sugi Predict

Sugi Predict / Compounds / SCHEMBL3628284

SCHEMBL3628284

SCHEMBL3628284

CCCCCCC(C)(OO)OO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ GGPS1 O95749 6/20 0.41
▸ SMPD1 P17405 4/20 0.41
▸ FDPS P14324 9/20 0.40
▸ THRB P10828 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL6872906 0.97 TSHR (0.46) TSHRGGPS1SMPD1FDPSCES2
SCHEMBL8496058 0.91 TSHR (0.52) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL8497257 0.91 TSHR (0.52) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL3628857 0.90 TSHR (0.48) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL7934746 0.88 TSHR (0.54) TSHRGGPS1SMPD1FDPSCES2
SCHEMBL27852365 0.87 TSHR (0.46) TSHRFDPS
SCHEMBL8740256 0.80 GGPS1 (0.41) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL3574443 0.80 GGPS1 (0.41) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL21180035 0.80 GGPS1 (0.41) TSHRGGPS1SMPD1FDPSTHRB
SCHEMBL5567695 0.80 TSHR (0.56) TSHRFDPS

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
WO-2010134678-A2 CETANE NUMBER IMPROVER, FUEL OIL INCLUDING THE SAME, AND TETRAOXANE-BASED COMPOUND KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-25 — — WO disclosed