SCHEMBL5284449

SCHEMBL5284449

[CH2]c1cc(OCCCCCCCC)c([CH2])cc1OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.46
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ESR1 P03372 2/20 0.39
PDIA4 P13667 1/20 0.39
PDIA3 P30101 1/20 0.39
PDIA6 Q15084 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 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
SCHEMBL5278992 0.92 TLR8 (0.42) SMPD1ESR1
SCHEMBL2093715 0.89 SMPD1 (0.41) SMPD1ESR1
SCHEMBL7994834 0.80 SMPD1 (0.54) SMPD1THRATHRB
SCHEMBL8019643 0.80 THRA (0.52) THRATHRB
SCHEMBL9116570 0.77 THRA (0.51) SMPD1THRATHRB
SCHEMBL12485172 0.77 SMPD1 (0.51) SMPD1THRATHRB
SCHEMBL9394813 0.77 SMPD1 (0.51) SMPD1THRATHRB
SCHEMBL8974031 0.77 SMPD1 (0.51) SMPD1THRATHRB
SCHEMBL9393775 0.77 SMPD1 (0.51) SMPD1THRATHRB
SCHEMBL9394535 0.77 SMPD1 (0.51) SMPD1THRATHRB

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-0901174-B1 Polymer light emitting device SUMITOMO CHEMICAL CO (JP) 2007-12-19 EP disclosed
US-6403236-B1 FLUORESCENT POLYMER CONTAINING UNSATURATED AROMATIC MONOMER AND CHARGE TRANSPORTING LAYER; STABILITY ON DRIVING; DURABILITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-0901174-A2 Polymer light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-10 EP disclosed