Benzene

Benzene

SCHEMBL8197459

C1CCOOC1.CC(=O)O.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Acetic Acid SCHEMBL15439482 0.94 FFAR3 (0.47) FFAR3LCKFYNSMN1; SMN2
Acetic Acid SCHEMBL4544141 0.91 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL6125476 0.91 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL4539715 0.91 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL4543690 0.91 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL28871134 0.88 FFAR3 (0.41) FFAR3LCKFYN
Acetic Acid SCHEMBL1704983 0.88
Acetone SCHEMBL4379179 0.84 LMNA (0.43) FFAR3LCKFYNSMN1; SMN2
Toluene SCHEMBL1308696 0.84 LMNA (0.46) GAASMN1; SMN2
Acetic Acid SCHEMBL8158174 0.84 FFAR3 (0.58) FFAR3LCKFYNSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216444-A1 DESIGNED BACTERIAL COMPOSITIONS SERES THERAPEUTICS, INC. (US) 2024-07-04 US disclosed
US-20240180156-A1 BIOACTIVE COMPOSITION FOR IMPROVING STRESS TOLERANCE OF PLANTS FYTEKO (BE) 2024-06-06 US disclosed
US-11896009-B2 Bioactive composition for improving stress tolerance of plants FYTEKO (BE) 2024-02-13 US disclosed
EP-3349578-B1 BIOACTIVE COMPOSITION FOR IMPROVING STRESS TOLERANCE OF PLANTS FYTEKO (BE) 2023-06-07 EP disclosed
US-20190247447-A1 DESIGNED BACTERIAL COMPOSITIONS SERES THERAPEUTICS, INC. 2019-08-15 US disclosed
EP-3380108-A2 DESIGNED BACTERIAL COMPOSITIONS Seres Therapeutics, Inc. (US) 2018-10-03 EP disclosed
US-20180242579-A1 BIOACTIVE COMPOSITION FOR IMPROVING STRESS TOLERANCE OF PLANTS FYTEKO (BE) 2018-08-30 US disclosed
WO-2017091783-A2 DESIGNED BACTERIAL COMPOSITIONS SERES THERAPEUTICS, INC. (US) 2017-06-01 WO disclosed
EP-0711148-B1 BIPHASIC MULTILAMELLAR LIPID VESICLES PHARMADERM LAB LTD (CA) 2000-08-30 EP disclosed
US-5993851-A MIXING AN OIL-IN-WATER EMULSION WITH VESICLE-FORMING LIPIDS TO FORM LIPOSOMES HAVING A LIPID-BILAYER MEMBRANE COMPOSED OF THE VESICLE-FORMING LIPIDS AND CONTAINING THE OIL-IN-WATER EMULSION IN THE CENTRAL CORE COMPARTMENT. PHARMADERM LABORATORIES, LTD. (CA) 1999-11-30 US disclosed
EP-0101294-A2 Composition for protecting and healing gastro-duodenal mucosa and the liver of mammals THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-02-22 EP disclosed
US-4399147-A Prostaglandin 12 analogues and their pharmaceutical compositions ONO PHARMACEUTICAL CO. LTD. (JP) 1983-08-16 US disclosed
US-4390548-A Trans-Δ2 -pge alkylsulphonyl amides ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 US disclosed
US-4321275-A ANIMAL HUSBANDRY IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-23 US disclosed
US-4304715-A Enkephalin analogues HUDSON DEREK 1981-12-08 US disclosed
US-RE30731-E Enkephalin analogues Hudson, Derek (GB) 1981-09-01 US disclosed
US-4198398-A Enkephalin analogues HUDSON DEREK (GB) 1980-04-15 US disclosed
US-4097579-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-06-27 US disclosed
US-4089969-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, SMOOTH MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4087539-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SMOOTH MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-05-02 US disclosed