SCHEMBL9688886

SCHEMBL9688886

CC(C)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
PTGS2 P35354 1/20 0.41
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BCL2L1 Q07817 1/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL146177 0.91 CA1 (0.58) CA1CA2CA12CA9GABRA1
SCHEMBL29613123 0.91 CA1 (0.58) CA1CA2CA12CA9GABRA1
Benzene SCHEMBL28765069 0.91 CA1 (0.58) CA1CA2CA12CA9GABRA1
Phosphoric Acid SCHEMBL28538604 0.89 CA12 (0.46) CA1CA2CA12CA9GABRA1
Hydrochloric Acid SCHEMBL28861669 0.88 CA1 (0.56) CA1CA2CA12CA9GABRA1
Fluoride SCHEMBL28017023 0.88 CA1 (0.56) CA1CA2CA12CA9GABRA1
Methane SCHEMBL27656692 0.88 CA1 (0.56) CA1CA2CA12CA9GABRA1
Phosphine SCHEMBL27891453 0.88 CA1 (0.56) CA1CA2CA12CA9GABRA1
SCHEMBL9174922 0.88 GABRA1 (0.52) CA1CA2CA12CA9GABRA1
SCHEMBL22589013 0.86 CA12 (0.59) CA1CA2CA12CA9GABRA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108591187-B Fluid flow driven electrochemical surface degradation mitigation based on redox couple 波音公司 2020-07-07 CN disclosed
CN-111269424-A Polysiloxane compound, preparation method and application thereof 北京化工大学 2020-06-12 CN disclosed
CN-107109236-B Fire retardant combination and flame-retarded synthetic resin composition 株式会社艾迪科 2019-03-08 CN disclosed
CN-108602995-A Flame-retardant polyolefin resin composition 株式会社艾迪科 2018-09-28 CN disclosed
CN-107031017-A Extruder and used the extruder thermoplastic resin composition manufacture method 旭化成株式会社 2017-08-11 CN disclosed
CN-103842444-B Flame-retardant resin composition and electric wire using same ADEKA CORP. (JP) 2016-05-25 CN disclosed
CN-105209576-A Flame-retardant composition and flame-retardant synthetic resin composition ADEKA CORP 2015-12-30 CN disclosed
CN-105209551-A Flame-retardant synthetic resin composition ADEKA CORP 2015-12-30 CN disclosed
CN-104813417-A Halogen-free flame-retardant insulated wire SUMITOMO ELECTRIC INDUSTRIES 2015-07-29 CN disclosed
CN-102568662-B Insulated electric wire and manufacturing method thereof SUMITOMO ELECTRIC INDUSTRIES 2014-09-17 CN disclosed
CN-101679720-B Flame-retardant tube and heat-shrinkable tube using same SUMITOMO ELEC FINE POLYMER INC 2013-10-09 CN disclosed
CN-103339189-A Vinyl chloride resin composition ADEKA CORP 2013-10-02 CN disclosed
CN-101939375-B Flame-retardant chlorine-containing resin composition ADEKA CORP 2013-03-27 CN disclosed
CN-102568662-A Insulated electric wire and manufacturing method thereof SUMITOMO ELECTRIC INDUSTRIES 2012-07-11 CN disclosed
CN-101939375-A Flame-retardant chlorine-containing resin composition ADEKA CORP 2011-01-05 CN disclosed
CN-101679720-A Flame-retardant tube and heat-shrinkable tube using same SUMITOMO ELECTRIC INDUSTRIES 2010-03-24 CN disclosed
US-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-4292462-A INSULATORS-COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1981-09-29 US disclosed
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 US disclosed