Benzene

Benzene

SCHEMBL2248161

CCOC(=O)CCC(=O)O.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
EGLN1 Q9GZT9 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44

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
Succinic Acid Diethyl Ester SCHEMBL27830938 0.95 MGAM (0.55) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL262913 0.95 MGAM (0.55) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL363334 0.95 MGAM (0.55) SMN1; SMN2MGAMGAASIMGAM2
Succinic Acid Diethyl Ester SCHEMBL27966388 0.95 MGAM (0.55) SMN1; SMN2MGAMGAASIMGAM2
Water SCHEMBL1110192 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL1006465 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL5014278 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL10784546 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL818402 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2
Methyl Alcohol SCHEMBL2707570 0.93 MGAM (0.52) SMN1; SMN2MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101690794-B Antitumor medicament, preparation method and quality control method JILIN DOUBLE STAR PHARMACEUTICAL CO LTD 2011-06-22 CN claimed
CN-101690794-A Antitumor medicament, preparation method and quality control method JILIN DOUBLE STAR PHARMACEUTIC 2010-04-07 CN claimed
CN-1973866-A Quality control method for cold treating and cough relieving syrup GUIZHOU YIBAI PHARMACEUTICAL (CN) 2007-06-06 CN claimed
US-5346919-A Produced from Zopfiella; fungicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-13 US claimed
US-4495358-A Antibiotic pyrrolomycin E MEIJI SEIKA KAISHA, LTD. (JP) 1985-01-22 US claimed
CN-101851590-B Recombinant yeast for producing quinines compound UNIV XINJIANG 2013-11-06 CN disclosed
US-8546366-B2 Method for inhibition of tumor cell growth using (22R)-5α-lanosta-8,24-dien-3β,15α,21-triol MACKAY MEMORIAL HOSPITAL (TW) 2013-10-01 US disclosed
US-20120309732-A1 METHOD FOR INHIBITION OF TUMOR CELL GROWTH USING (22R)-5alpha-LANOSTA-8,24-DIEN-3Beta,15alpha,21-TRIOL MACKAY MEMORIAL HOSPITAL (TW) 2012-12-06 US disclosed
US-7994158-B2 Method for inhibiting tumor growth with dehydrosulphurenic acid extracted from Antrodia cinnamomea MACKAY MEMORIAL HOSPITAL (TW) 2011-08-09 US disclosed
CN-101690794-B Antitumor medicament, preparation method and quality control method JILIN DOUBLE STAR PHARMACEUTICAL CO LTD 2011-06-22 CN disclosed
CN-101703524-B Quality control method for leech and preparation containing leech LUNAN PHARM GROUP CORP 2011-01-12 CN disclosed
CN-101703524-A Quality control method for leech and preparation containing leech LUNAN PHARM GROUP CORP 2010-05-12 CN disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4018753-A ADRENAL STIMULANTS SHIONOGI & CO., LTD. (JA) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3988356-A Novel haptenes and antigens ROUSSEL-UCLAF (FR) 1976-10-26 US disclosed
US-3978084-A Synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1976-08-31 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 US disclosed
US-3935254-A 5C-PROSTEN-13-YNOIC ACIDS CARLO ERBA S.P.A. (IT) 1976-01-27 US disclosed
US-3932467-A Process for the production of 2β-formyl 3α-protected hydroxy-5-oxocyclopentane-1α-heptanoic acids and esters corresponding G. D. SEARLE & CO. (US) 1976-01-13 US disclosed