SCHEMBL28874010

SCHEMBL28874010

CCCOC.COc1ccccc1CCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
AOC3 Q16853 1/20 0.47
TSHR P16473 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE2A O00408 1/20 0.41
IDO1 P14902 1/20 0.41
ABCB1 P08183 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
SCHEMBL7636733 0.88 TAAR1 (0.60) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL31147801 0.88 TAAR1 (0.60) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL19398947 0.78 TAAR1 (0.56) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL792023 0.77 TAAR1 (0.64) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL28319761 0.76 ALDH1A1 (0.46) TAAR1AOC3TSHRSIGMAR1KCNH2
SCHEMBL8957418 0.76 HRH1 (0.44) TAAR1AOC3SIGMAR1HTT
SCHEMBL11742522 0.76 TAAR1 (0.53) TAAR1AOC3SIGMAR1
SCHEMBL158584 0.75 TAAR1 (0.67) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL29467401 0.75 TAAR1 (0.67) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL23259489 0.75 TAAR1 (0.56) TAAR1AOC3SIGMAR1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496374-B A kind of catalyst system being used to prepare olefin polymer and its application 中国石油化工股份有限公司 2019-09-27 CN disclosed
CN-106496366-B A kind of olefin polymerization catalysis and its application 中国石油化工股份有限公司 2019-06-18 CN disclosed