SCHEMBL2851133

SCHEMBL2851133

CCCCCCc1ccc(C)c2c1C=C(C)[CH]2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33

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
SCHEMBL2853357 0.98 TYR (0.40) TYRTP53CYP3A4TSHRMEN1
SCHEMBL2852414 0.93 TYR (0.37) TYRTP53CYP3A4TSHRMEN1
SCHEMBL14645973 0.80 ALOX5 (0.44) TYRALOX5PTGS2HTR2APPARA
SCHEMBL8079270 0.73 LIPG (0.41) TYRALOX5MAPTALOX15LIPG
SCHEMBL8157770 0.71 TYR (0.40) TYRTP53CYP3A4TSHRMEN1
SCHEMBL11332831 0.71 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL6057017 0.71 TYR (0.55) TYRTP53CYP3A4TSHRMEN1
SCHEMBL27680275 0.71 TYR (0.55) TYRTP53CYP3A4TSHRMEN1
SCHEMBL7773731 0.71 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL11527166 0.71 TYR (0.55) TYRTP53CYP3A4TSHRMEN1

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
EP-0808850-B2 Method of treating polyolefin MITSUI CHEMICALS INC (JP) 2010-01-13 EP disclosed
EP-0808850-B1 Method of treating polyolefin MITSUI CHEMICALS INC (JP) 2001-09-19 EP disclosed
CN-1052734-C Propylene elastomer MITSUI PETROCHEMICAL IND (JP) 2000-05-24 CN disclosed
US-5990272-A HEATING POLYOLEFIN CONTACTED WITH A LIGAND DECOMPOSER TO REMOVE DECOMPOSED METALLOCENE LIGANDS FROM THE POLYOLEFIN MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0808850-A1 Method of treating polyolefin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-11-26 EP disclosed