SCHEMBL5197837

SCHEMBL5197837

C=Cc1ccc(CCCOCCCc2ccc(C=C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HRH3 Q9Y5N1 6/20 0.39
KCNH2 Q12809 3/20 0.39
SLC6A2 P23975 2/20 0.39
HRH1 P35367 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM4 P08173 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
IDO1 P14902 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL3474955 0.94 ALDH1A1 (0.44) ALDH1A1HRH3KCNH2SLC6A2HRH1
SCHEMBL2402230 0.87 ALDH1A1 (0.50) ALDH1A1KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL177912 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRHDAC8
SCHEMBL1140696 0.84 ALDH1A1 (0.58) ALDH1A1SLC6A2CHRM2ADRA2CSLC6A4
SCHEMBL14142658 0.84 ALDH1A1 (0.42) ALDH1A1IDO1CHRNB2CHRNB4CHRNA3
SCHEMBL2468949 0.83 ALDH1A1 (0.38) ALDH1A1KCNH2MEN1KMT2ACHRNB2
SCHEMBL28582593 0.83 TDP1 (0.39) ALDH1A1HRH3KCNH2IDO1HRH4
SCHEMBL6278400 0.82 ALDH1A1 (0.55) ALDH1A1SLC6A2CHRM2ADRA2CSLC6A4
SCHEMBL594419 0.82 ALDH1A1 (0.55) ALDH1A1SLC6A2CHRM2ADRA2CSLC6A4
SCHEMBL3797757 0.82 ALDH1A1 (0.55) ALDH1A1SLC6A2CHRM2ADRA2CSLC6A4

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
CN-117801187-A Preparation of functional damping brominated grafting agent and damping brominated branched butyl rubber 中国石油天然气股份有限公司 2024-04-02 CN claimed
EP-1481981-B1 Styrene hypophosphite adduct, preparation thereof and use CLARIANT PRODUKTE DEUTSCHLAND (DE) 2007-08-15 EP disclosed
EP-1481981-A2 Styrene hypophosphite adduct, preparation thereof and use Clariant GmbH (DE) 2004-12-01 EP disclosed