SCHEMBL8071303

SCHEMBL8071303

C=CCCCCCCCCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.42
IDO1 P14902 2/20 0.41
PNMT P11086 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.41
KCNH2 Q12809 1/20 0.41
TLR8 Q9NR97 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HDAC1 Q13547 2/20 0.39

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
SCHEMBL8076546 1.00 TAAR1 (0.47) TAAR1USP2ALDH1A1HPGDTDP1
SCHEMBL8062063 1.00 TAAR1 (0.47) TAAR1USP2ALDH1A1HPGDTDP1
SCHEMBL8072572 1.00 TAAR1 (0.47) TAAR1USP2ALDH1A1HPGDTDP1
SCHEMBL248775 0.98 TAAR1 (0.48) TAAR1USP2ALDH1A1HPGDTDP1
SCHEMBL8076090 0.92 TAAR1 (0.50) TAAR1ALDH1A1CHRM2IDO1PNMT
SCHEMBL30462202 0.92 TAAR1 (0.50) TAAR1ALDH1A1CHRM2IDO1PNMT
SCHEMBL248652 0.84 TAAR1 (0.54) TAAR1ALDH1A1IDO1PNMTSLC6A2
SCHEMBL1822278 0.84 TAAR1 (0.62) TAAR1CHRM2IDO1PNMTSLC6A2
SCHEMBL5535994 0.81 TAAR1 (0.47) TAAR1CHRM2IDO1PNMTSLC6A2
SCHEMBL5541608 0.79 TAAR1 (0.48) TAAR1CHRM2IDO1PNMTSLC6A2

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