SCHEMBL3333544

SCHEMBL3333544

Cc1ccc(C)c(C)c1.Cc1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.50
CYP1A2 P05177 4/20 0.46
CYP2A6 P11509 3/20 0.46
ACHE P22303 2/20 0.46
TP53 P04637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR4 O95977 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL27535148 1.00 RAPGEF4 (0.50) RAPGEF4CYP1A2CYP2A6ACHETP53
SCHEMBL323096 0.95 RAPGEF4 (0.52) RAPGEF4CYP1A2CYP2A6ACHETP53
M-Xylene SCHEMBL9614482 0.89 ACHE (0.48) RAPGEF4CYP1A2CYP2A6ACHETP53
O-Xylene SCHEMBL9100131 0.87 ACHE (0.59) RAPGEF4CYP1A2CYP2A6ACHETP53
Benzene SCHEMBL3358651 0.84 TDP1 (0.50) RAPGEF4CYP1A2CYP2A6ACHETP53
SCHEMBL60541 0.84
SCHEMBL1135726 0.84 TDP1 (0.55) RAPGEF4CYP1A2CYP2A6ACHETP53
SCHEMBL29365203 0.84
SCHEMBL19744496 0.84 TDP1 (0.55) RAPGEF4CYP1A2CYP2A6ACHETP53
M-Xylene SCHEMBL4596537 0.81 ACHE (0.71) RAPGEF4CYP1A2CYP2A6ACHETP53

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-9687792-B2 Additives for boron rejection enhancement of a membrane LG CHEM, LTD. (KR) 2017-06-27 US disclosed
US-20170056837-A1 ADDITIVES FOR BORON REJECTION ENHANCEMENT OF A MEMBRANE NANOH2O CO., LTD. (KR) 2017-03-02 US disclosed
US-9034780-B2 Heavy aromatics processing catalyst and process of using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-05-19 US disclosed
US-20130259775-A1 Transalkylation Of Heavy Aromatic Hydrocarbon Feedstocks EXXONMOBIL CHEMICAL PATENTS INC. 2013-10-03 US disclosed
US-20100093520-A1 Heavy Aromatics Processing Catalyst and Process of Using the Same EXXONMOBIL CHEMICAL PATENTS INC. 2010-04-15 US disclosed
US-7485763-B2 Using a catalyst having two different zeolites for transalkylation of a C9+ aromatic feed EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-02-03 US disclosed
US-20070055086-A1 Heavy aromatics processing BUCHANAN JOHN S 2007-03-08 US disclosed
EP-0383724-B2 Polymerization of maleic-acid anhydride FMC CORP UK LTD (GB) 1999-03-17 EP disclosed
EP-0383724-A2 Polymerization of maleic-acid anhydride FMC CORPORATION (UK) LIMITED (GB) 1990-08-22 EP disclosed
US-4398921-A DETERGENT, ALKYLPHENOL-ALDEHYDE-AMINE REACTION PRODUCT, DEMULSIFIER, POLYETHER, OXYALKYLATED PHENOL-FORMALDEHYDE RESIN ETHYL CORPORATION (US) 1983-08-16 US disclosed