SCHEMBL8613100

SCHEMBL8613100

CCc1c(C)c(C)c2ccccc2c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
HTT P42858 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL8743877 0.91 TP53 (0.40) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL9576844 0.91 TP53 (0.40) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL11577554 0.85 CYP1A2 (0.47) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL28275472 0.83 TP53 (0.41) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL8821847 0.82 TP53 (0.43) TP53CYP1A2SMN1; SMN2HTTKDM4E
SCHEMBL7918982 0.82 TP53 (0.43) TP53CYP1A2SMN1; SMN2HTTKDM4E
SCHEMBL6912463 0.80 HTT (0.41) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
Ammonia Solution, Strong SCHEMBL2364100 0.79 TP53 (0.41) TP53CYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL29853674 0.79 TP53 (0.45) TP53CYP1A2SMN1; SMN2HTTKDM4E
SCHEMBL2317562 0.79 TP53 (0.45) TP53CYP1A2SMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US claimed
EP-0599448-B1 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH IND INC (US) 1998-04-29 EP disclosed
EP-0481360-B1 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1997-01-15 EP disclosed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US disclosed
CN-1029611-C Process for producing alkyl-substituted aromatic hydrocarbons MITSUI PETROCHEMICAL IND (JP) 1995-08-30 CN disclosed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US disclosed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP disclosed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
CN-1060833-A The production method of alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1992-05-06 CN disclosed
EP-0481360-A2 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-22 EP disclosed