SCHEMBL16207347

SCHEMBL16207347

CCC(C)(C)Oc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
HTR1D P28221 4/20 0.39
HTR1B P28222 2/20 0.36
ELANE P08246 1/20 0.35
CD69 Q07108 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AR P10275 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31

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
SCHEMBL14629625 0.88 ESR1 (0.33) ESR1ESR2TSHRALDH1A1TDP1
SCHEMBL16201611 0.86 MAPK1 (0.36) ESR1ESR2TSHRRAB9AALDH1A1
SCHEMBL14011198 0.85 GLA (0.37) ESR1ESR2TSHRALDH1A1TDP1
SCHEMBL19354009 0.80 ALDH1A1 (0.34) ESR1ESR2HPGDALDH1A1KDM4E
SCHEMBL13753107 0.78 POLB (0.46) POLBHTR1DHTR1BELANECD69
SCHEMBL12401801 0.74 POLB (0.43) POLBHTR1DHTR1BELANECD69
SCHEMBL14140023 0.73
SCHEMBL14629626 0.73 NPC1 (0.37) TSHRRAB9AALDH1A1LMNAMAPK1
SCHEMBL14701793 0.72 VDR (0.31) ELANE
SCHEMBL16201698 0.71 MAPK1 (0.37) POLBESR1ESR2RAB9AALDH1A1

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
US-9012572-B2 Polyphenylene ether oligomer and article employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-04-21 US disclosed
US-20140323666-A1 POLYPHENYLENE ETHER OLIGOMER AND ARTICLE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-10-30 US disclosed