SCHEMBL16405013

SCHEMBL16405013

C=Cc1sc(CCCCCC)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ THRA P10827 4/20 0.37
▸ THRB P10828 4/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL28322841 0.81 CNR2 (0.46) CNR2CNR1MAPTKCNH2PTPN1
SCHEMBL16976880 0.77 CNR2 (0.41) CNR2CNR1MAPTKCNH2PTPN1
SCHEMBL20654244 0.76 CNR2 (0.39) CNR2CNR1MAPTTHRATHRB
SCHEMBL12270392 0.69 CNR2 (0.40) CNR2CNR1MAPTKCNH2PTPN1
SCHEMBL10450091 0.68 CNR2 (0.51) CNR2CNR1PTPN1TLR8
SCHEMBL4429817 0.68 CNR2 (0.51) CNR2CNR1MAPTKCNH2PTPN1
SCHEMBL31229334 0.68 CNR2 (0.51) CNR2CNR1PTPN1TLR8
Hexane SCHEMBL10533800 0.67 ALDH1A1 (0.46) CNR1THRATHRBKCNH2LIPG
SCHEMBL29266736 0.67 KCNH2 (0.56) THRATHRBKCNH2MEN1KMT2A
SCHEMBL28521552 0.67 CNR2 (0.50) CNR2CNR1MAPTKCNH2PTPN1

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-2826821-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE ADSORPTION LIQUID COMPOSITION FOR DYE-SENSITIZED SOLAR CELL, SEMICONDUCTOR ELECTRODE FOR DYE-SENSITIZED SOLAR CELL, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL Fujifilm Corporation (JP) 2015-01-21 — — EP disclosed
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