SCHEMBL8063273

SCHEMBL8063273

C=CCCCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
TLR8 Q9NR97 1/20 0.49
MPO P05164 3/20 0.44
AOC3 Q16853 1/20 0.43
SLC6A4 P31645 1/20 0.40
IDO1 P14902 2/20 0.39
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DAO P14920 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8072160 0.94 TAAR1 (0.50) TAAR1TLR8MPOAOC3SLC6A4
SCHEMBL8072473 0.92 TAAR1 (0.48) TAAR1TLR8MPOAOC3SLC6A4
SCHEMBL8077496 0.92 TAAR1 (0.48) TAAR1TLR8MPOAOC3SLC6A4
SCHEMBL8073017 0.92 TAAR1 (0.48) TAAR1TLR8MPOAOC3SLC6A4
SCHEMBL8072559 0.92 TAAR1 (0.48) TAAR1TLR8MPOAOC3SLC6A4
SCHEMBL7563209 0.88 TAAR1 (0.56) TAAR1MPOAOC3IDO1HPGD
SCHEMBL30660239 0.80 TAAR1 (0.68) TAAR1MPOAOC3SLC6A4IDO1
SCHEMBL96466 0.80 TAAR1 (0.52) TAAR1MPOAOC3SLC6A4IDO1
SCHEMBL3917229 0.80 TAAR1 (0.52) TAAR1MPOAOC3SLC6A4IDO1
SCHEMBL900755 0.77 TAAR1 (0.58) TAAR1MPOAOC3SLC6A4IDO1

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
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed