SCHEMBL1077682

SCHEMBL1077682

OCC(O)CCCCCC(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
USP2 O75604 3/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 1/20 0.44
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
GPR84 Q9NQS5 4/20 0.33
CYP2D6 P10635 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1746816 1.00 THRB (0.50) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL6235810 1.00 THRB (0.50) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL10537842 1.00 THRB (0.50) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL320930 0.97 THRB (0.53) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL1284760 0.91 THRB (0.53) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL25389134 0.91 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL9278178 0.91 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL22395412 0.91 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL5709983 0.91 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA
SCHEMBL25303278 0.91 THRB (0.59) THRBUSP2CYP3A4SMN1; SMN2LMNA

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
EP-2268687-A1 AQUEOUS POLYMER COMPOSITIONS OBTAINED FROM EPOXIDIZED NATURAL OILS Lubrizol Advanced Materials, Inc. (US) 2011-01-05 EP disclosed
WO-2009105400-A1 AQUEOUS POLYMER COMPOSITIONS OBTAINED FROM EPOXIDIZED NATURAL OILS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-08-27 WO disclosed
US-4769417-A New rubber polymers with block-like structure BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed