SCHEMBL9064458

SCHEMBL9064458

Cc1ccc(C(C)(C)Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ESR1 P03372 3/20 0.39
CYP19A1 P11511 2/20 0.36
TSHR P16473 4/20 0.36
KIF11 P52732 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
ESR2 Q92731 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AR P10275 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 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
SCHEMBL11549127 0.81 TSHR (0.50) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL2009857 0.78 TSHR (0.52) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL9064553 0.78 ESR1 (0.61) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL29498849 0.78 TSHR (0.52) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL12017818 0.77 ALDH1A1 (0.39) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL45199 0.76 MEN1 (0.41) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL11023667 0.76 PTPN1 (0.35) ALDH1A1ESR1TSHRTDP1MEN1
SCHEMBL23592890 0.74 ALDH1A1 (0.40) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL14189083 0.74 ALDH1A1 (0.40) ALDH1A1ESR1CYP19A1TSHRKIF11
SCHEMBL5299447 0.74 ALDH1A1 (0.46) ALDH1A1ESR1CYP19A1TSHRKIF11

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
EP-0564979-B1 Method for the production of dixylylpropane HOECHST AG (DE) 1996-08-28 EP claimed
US-5300717-A Reacting o-xylene with propene; Friedel-Crafts catalyst; dehydrogenation. chlorination, condensation; intermediate for bisanhydride precursor for polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US claimed
EP-0564979-A2 Method for the production of dixylylpropane HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP claimed
JP-6048966-A None JP disclosed
EP-0564979-B1 Method for the production of dixylylpropane HOECHST AG (DE) 1996-08-28 EP disclosed
US-5300717-A Reacting o-xylene with propene; Friedel-Crafts catalyst; dehydrogenation. chlorination, condensation; intermediate for bisanhydride precursor for polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5300717-A Reacting o-xylene with propene; Friedel-Crafts catalyst; dehydrogenation. chlorination, condensation; intermediate for bisanhydride precursor for polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
JP-H0648966-A PREPARATION OF DIXYLYLPROPANE HOECHST AG 1994-02-22 JP disclosed
EP-0564979-A2 Method for the production of dixylylpropane HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP disclosed
EP-0564979-A2 Method for the production of dixylylpropane HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP disclosed