SCHEMBL17491306

SCHEMBL17491306

CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(CC)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
HSPA5 P11021 1/20 0.45
DGKA P23743 1/20 0.43
CNR2 P34972 4/20 0.43
ESR1 P03372 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CNR1 P21554 3/20 0.41
NAAA Q02083 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL17491255 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491349 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491235 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL7246386 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL7240666 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491283 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491180 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491363 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL17491303 1.00 GAA (0.46) GAAKMT2AHSPA5DGKACNR2
SCHEMBL283853 0.93 GAA (0.53) GAAKMT2ADGKACNR2ESR1

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
EP-2982710-A1 POLY-1-BUTENE RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 EP disclosed