SCHEMBL1237676

SCHEMBL1237676

OCCCC(O)CCCC(O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5851440 0.92 PTPN1 (0.46) PTPN1THRB
SCHEMBL3889912 0.92 PTPN1 (0.37) PTPN1THRB
SCHEMBL8411963 0.89 PTPN1 (0.40) PTPN1ALDH1A1LMNA
SCHEMBL758285 0.87 THRB (0.44) PTPN1THRBALDH1A1LMNA
SCHEMBL599332 0.87
SCHEMBL25294047 0.86 PTPN1 (0.41) PTPN1ALDH1A1LMNA
SCHEMBL15848371 0.86 PTPN1 (0.41) PTPN1ALDH1A1LMNA
SCHEMBL2300681 0.86 PTPN1 (0.41) PTPN1ALDH1A1LMNA
SCHEMBL20376197 0.86 PTPN1 (0.41) PTPN1ALDH1A1LMNA
SCHEMBL3844086 0.84 THRB (0.42) PTPN1THRBALDH1A1LMNA

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-2011022511-A2 METHODS OF REDUCING LIGNIN AND PRODUCTS THEREOF STRATEGIC ENZYME APPLICATIONS, INC. (US) 2011-02-24 WO disclosed