SCHEMBL6633876

SCHEMBL6633876

C=Cc1ccc(CCCCCCCC)cc1.CCCCCCC=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.53
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
TRPA1 O75762 1/20 0.43
TRPM2 O94759 1/20 0.43
PLA2G1B P04054 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
HSD11B1 P28845 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41

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
Styrene SCHEMBL701625 0.89 THRB (0.51) THRATHRBMEN1KMT2AHTR2A
SCHEMBL27875999 0.87 TNNC1 (0.65) TNNC1THRATHRBMEN1KMT2A
SCHEMBL26650480 0.87 TNNC1 (0.65) TNNC1THRATHRBMEN1KMT2A
SCHEMBL26650594 0.87 TNNC1 (0.65) TNNC1THRATHRBMEN1KMT2A
SCHEMBL7238237 0.85 TNNC1 (0.63) TNNC1THRATHRBHTR2ASPHK2
SCHEMBL7238233 0.85 TNNC1 (0.63) TNNC1THRATHRBHTR2ASPHK2
SCHEMBL1140656 0.85 TNNC1 (0.51) TNNC1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL27876015 0.85 TNNC1 (0.62) TNNC1HTR2ASPHK2SPHK1KDM4E
SCHEMBL1140653 0.85 TNNC1 (0.51) TNNC1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL27803241 0.84 SPHK2 (0.43) TNNC1CYSLTR2CYSLTR1TRPA1TRPM2

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-0962832-B1 Toner, toner production process, and image forming method CANON KK (JP) 2004-05-26 EP disclosed