SCHEMBL2201031

SCHEMBL2201031

BrCc1cccc(C(CCC(c2cccc(CBr)c2)c2cccc(CBr)c2)c2cccc(CBr)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KCNH2 Q12809 3/20 0.37
HRH1 P35367 5/20 0.37
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
CNR1 P21554 2/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL3098904 0.81 TRPA1 (0.52) TRPA1ALDH1A1TSHRTDP1SIGMAR1
SCHEMBL3188682 0.80 TSHR (0.44) TRPA1ALDH1A1TSHRTDP1PGK1
SCHEMBL29413218 0.78 DAO (0.45) TRPA1ALDH1A1TSHRHTR2APGK1
SCHEMBL15094029 0.78 DAO (0.45) TRPA1ALDH1A1TSHRHTR2APGK1
SCHEMBL1241836 0.78 ALDH1A1 (0.42) TRPA1ALDH1A1TSHRTDP1SIGMAR1
SCHEMBL25388789 0.77 TSHR (0.41) TRPA1ALDH1A1TSHRSIGMAR1PGK1
SCHEMBL6888565 0.76 SRC (0.52) TRPA1ALDH1A1TSHRPGK1PGK2
SCHEMBL348159 0.75 ALDH1A1 (0.61) TRPA1ALDH1A1TSHRTDP1
SCHEMBL2213709 0.75 ALDH1A1 (0.61) TRPA1ALDH1A1TSHRTDP1
SCHEMBL7257386 0.75 TSHR (0.39) TRPA1ALDH1A1TSHRPGK1PGK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174995-B1 Ink jet ink, ink jet recording method, and ink cartridge CANON KK (JP) 2012-12-26 EP disclosed
US-7977409-B2 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
EP-2174995-A1 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2010-04-14 EP disclosed
US-20100086688-A1 INK JET INK, INK JET RECORDING METHOD, AND INK CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2010-04-08 US disclosed