SCHEMBL30136331

SCHEMBL30136331

C=CCCc1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
IDO1 P14902 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
AOC3 Q16853 1/20 0.51
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 1/20 0.50
KCNH2 Q12809 1/20 0.50
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ABCB1 P08183 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL8062343 1.00 TAAR1 (0.58) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL8062946 0.89 TAAR1 (0.55) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL8072482 0.87 TAAR1 (0.53) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL8076534 0.86 TAAR1 (0.51) TAAR1SIGMAR1AOC3CHRM2CHRM1
SCHEMBL8076012 0.86 TAAR1 (0.51) TAAR1SIGMAR1AOC3CHRM2CHRM1
SCHEMBL8077876 0.86 TAAR1 (0.51) TAAR1SIGMAR1AOC3CHRM2CHRM1
SCHEMBL8076314 0.86 TAAR1 (0.51) TAAR1SIGMAR1AOC3CHRM2CHRM1
SCHEMBL28575949 0.84 HRH1 (0.44) TAAR1IDO1SIGMAR1AOC3
SCHEMBL8507656 0.82 TAAR1 (0.60) TAAR1IDO1SIGMAR1AOC3CHRM2
SCHEMBL9854692 0.82 ABCB1 (0.40) TAAR1KCNH2ABCB1ALDH1A1

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
CN-110418807-B Method for producing polar olefin polymer and copolymer 国立研究开发法人理化学研究所 2023-01-17 CN disclosed