SCHEMBL8610046

SCHEMBL8610046

C=Cc1ccc(C)cc1.CC(C)(C)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 1/20 0.41
NFE2L2 Q16236 4/20 0.40
CYP2C9 P11712 1/20 0.39
PPARG P37231 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
EGFR P00533 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FGF23 Q9GZV9 1/20 0.37

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
Styrene SCHEMBL3804814 0.91 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19TP53TDP1
Styrene SCHEMBL11880094 0.91 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19TP53TDP1
Styrene SCHEMBL10988082 0.91 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C19TP53TDP1
Toluene SCHEMBL11296567 0.87 CYP2C19 (0.48) ALDH1A1TSHRCYP2C19TP53TDP1
SCHEMBL3008606 0.85 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19TP53TDP1
Styrene SCHEMBL1974109 0.84 ALDH1A1 (0.70) ALDH1A1TSHRCYP2C19TP53TDP1
SCHEMBL28565142 0.84 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C19TP53TDP1
Styrene SCHEMBL9583045 0.84 ALDH1A1 (0.70) ALDH1A1TSHRCYP2C19TP53TDP1
Ethylene SCHEMBL17997367 0.82 CYP2C19 (0.52) ALDH1A1TSHRCYP2C19TDP1MAPT
SCHEMBL26917 0.82 CYP2C19 (0.55) ALDH1A1TSHRCYP2C19TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688428-B1 IMMUNOASSAY METHOD UTILIZING ZETA POTENTIAL HOECHST JAPAN (JP) 1998-04-01 EP disclosed
US-5686252-A Immunoassay method utilizing zeta potential and immunoassay kit HOECHST JAPAN LIMITED (JP) 1997-11-11 US disclosed
EP-0688428-A1 IMMUNOASSAY METHOD UTILIZING ZETA POTENTIAL HOECHST JAPAN LIMITED (JP) 1995-12-27 EP disclosed
WO-1994020853-A1 IMMUNOASSAY METHOD UTILIZING ZETA POTENTIAL AND IMMUNOASSAY KIT HOECHST JAPAN LIMITED (DE) 1994-09-15 WO disclosed
US-5082598-A Thermosetting unsaturated ester, thiuram compound, crosslinking agent, copper compound NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1992-01-21 US disclosed
US-4980416-A HEAT RESISTANCE, NONCRACKING, HIGH STRENGTH NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1990-12-25 US disclosed
CN-85101103-A The preparation method of multipolymer 1987-01-17 CN disclosed