SCHEMBL7595428

SCHEMBL7595428

CCCCCCCCOc1cc(CBr)c(OC)cc1CBr

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
SMPD1 P17405 5/20 0.43
ALOX5 P09917 3/20 0.41
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 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
SCHEMBL31412776 0.93 HTR2A (0.44) HTR2A
SCHEMBL5981361 0.93 MAPT (0.42) HTR2ASMPD1ALDH1A1THRB
SCHEMBL7718276 0.93 MAPT (0.42) HTR2ASMPD1ALDH1A1THRB
SCHEMBL3277560 0.93 MAPT (0.42) HTR2ASMPD1ALDH1A1THRB
SCHEMBL4600904 0.93 MAPT (0.42) HTR2ASMPD1ALDH1A1THRB
SCHEMBL20703370 0.88 HTR2A (0.41) HTR2AALDH1A1
SCHEMBL3374326 0.85 CYP1A2 (0.42) ALDH1A1THRATHRB
SCHEMBL4554136 0.85 HTR2A (0.41) HTR2AALDH1A1THRATHRB
SCHEMBL28837486 0.83 NPSR1 (0.43) SMPD1ALDH1A1THRB
SCHEMBL18901380 0.83 SMPD1 (0.43) SMPD1ALOX5ALDH1A1THRB

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-0825242-B1 Polymer fluorescent substance and organic electroluminescence device SUMITOMO CHEMICAL CO (JP) 2002-11-20 EP disclosed
US-6207301-B1 POLYSTYRENE POLYMERS AND COPOLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-27 US disclosed
EP-0825242-A2 Polymer fluorescent substance and organic electroluminescence device SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed