SCHEMBL1295608

SCHEMBL1295608

CCCCOP(=O)(OCCCC)OC(CCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TSHR P16473 1/20 0.43
SMPD1 P17405 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL6271171 0.83 SMPD1 (0.35) CYP3A4TSHRSMPD1L3MBTL1
SCHEMBL6273302 0.82 CYP3A4 (0.45) CYP3A4TSHRSMPD1L3MBTL1LPAR1
SCHEMBL6268013 0.80 SMPD1 (0.46) CYP3A4TSHRSMPD1L3MBTL1
SCHEMBL6271799 0.77 SMPD1 (0.43) CYP3A4TSHRSMPD1L3MBTL1LPAR1
SCHEMBL28016863 0.75 CYP3A4 (0.57) CYP3A4TSHRL3MBTL1LPAR1LPAR3
SCHEMBL10824812 0.75 CYP3A4 (0.57) CYP3A4TSHRL3MBTL1LPAR1LPAR3
SCHEMBL28197399 0.74 CYP3A4 (0.94) CYP3A4TSHRLPAR1LPAR3
SCHEMBL6271516 0.74 CYP3A4 (0.45) CYP3A4TSHRSMPD1L3MBTL1LPAR1
SCHEMBL3820459 0.74 CYP3A4 (0.61) CYP3A4TSHRL3MBTL1LPAR1LPAR3
SCHEMBL268615 0.74 CYP3A4 (0.67) CYP3A4TSHRLPAR1LPAR3

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
US-20110265605-A1 METHODS OF PRODUCING AND RECOVERING PLUTONIUM-238 BATTELLE ENERGY ALLIANCE, LLC (US) 2011-11-03 US disclosed