Benzene

Benzene

SCHEMBL9226365

O=C(O)C1CCCCC1.c1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HPGD P15428 1/20 0.48
TSHR P16473 3/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
PMP22 Q01453 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48

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
Benzene SCHEMBL30877927 1.00 CES2 (0.55) CES2CES1HPGDTSHRGABRP
Benzene SCHEMBL30877920 1.00 CES2 (0.55) CES2CES1HPGDTSHRGABRP
Benzene SCHEMBL9232305 0.97 TSHR (0.50) CES2CES1HPGDTSHRGABRP
SCHEMBL6501 0.94
SCHEMBL1260777 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP
SCHEMBL25212375 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP
SCHEMBL242069 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP
SCHEMBL12491655 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP
SCHEMBL5493736 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP
SCHEMBL12492077 0.94 CES2 (0.61) CES2CES1HPGDTSHRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112840244-B Member for projection image display, windshield, and head-up display system 富士胶片株式会社 2023-02-28 CN disclosed
CN-115698783-A Reflecting film, method for producing laminated glass, and laminated glass 富士胶片株式会社 2023-02-03 CN disclosed
CN-105849073-B Method for producing at least one hydroxymethylcyclohexane compound 伊士曼化工公司 2018-07-17 CN disclosed
CN-105873891-A Process for the preparation of cyclohexane carboxylic acid compounds 伊士曼化工公司 2016-08-17 CN disclosed
CN-105849073-A Method for producing at least one hydroxymethylcyclohexane compound 伊士曼化工公司 2016-08-10 CN disclosed
CN-102050726-A Method and equipment for separating cyclohexanecarboxylic acid slurry CHINA PETROLEUM & CHEMICAL 2011-05-11 CN disclosed
CN-1246655-A Sulfonic acid oxime kind for high light sensitivity high elch-resistant thick coating i-line photoetching rubber CIBA SC HOLDING AG (CH) 2000-03-08 CN disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed