SCHEMBL11527166

SCHEMBL11527166

CCCCCCCCCCCCCCCCc1ccc(C)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 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
SCHEMBL27680275 1.00 TYR (0.55) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL6057017 1.00 TYR (0.55) TYRTP53CYP3A4MEN1ALOX5
Bromide SCHEMBL28107083 0.96 TYR (0.51) TYRTP53CYP3A4MEN1ALOX5
Hydrochloric Acid SCHEMBL31122849 0.96 TYR (0.51) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL17958580 0.91 TYR (0.44) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL6547450 0.86 TYR (0.53) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL30576317 0.86 TYR (0.53) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL28849885 0.86 TYR (0.53) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL28293306 0.85 TYR (0.56) TYRTP53CYP3A4MEN1ALOX5
Water SCHEMBL28055285 0.83 TYR (0.55) TYRTP53CYP3A4MEN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102701282-B Preparation method of CaWO4 hollow spheres WUXI RUNPENG NEW COMPOSITE MATERIAL CO LTD 2015-05-20 CN disclosed
CN-103205130-B Energy-saving and environment-friendly asphalt modifier UNIV CHANGAN 2015-05-06 CN disclosed
CN-103205130-A Energy-saving and environment-friendly asphalt modifier UNIV CHANGAN 2013-07-17 CN disclosed
CN-102701282-A Preparation method of CaWO4 hollow spheres WUXI RUNPENG NEW COMPOSITE MATERIAL CO LTD 2012-10-03 CN disclosed
US-4162269-A BISULFITE ADDITION USING QUATERNARY AMMONIUM SALT, TERTIARY AMINE SALT, OR MACROCYCLIC POLYETHER AS CATALYST; DECOMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-24 US disclosed