SCHEMBL6157296

SCHEMBL6157296

C=CCS(=O)(=O)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 3/20 0.41
AKT1 P31749 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
PLA2G7 Q13093 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL27774259 0.80 ALDH1A1 (0.44) LMNATSHRRAB9AMAPK1CYP3A4
SCHEMBL27521721 0.78 KDM4E (0.43) LMNATDP1TSHRRAB9AKMT2A
SCHEMBL6234524 0.78 LMNA (0.53) LMNAF2TDP1TSHRRAB9A
SCHEMBL17965450 0.77 LMNA (0.48) LMNAF2TDP1TSHRAKT1
SCHEMBL6259861 0.76 KMT2A (0.45) LMNAF2TDP1TSHRAKT1
SCHEMBL17417729 0.75 KMT2A (0.52) LMNAF2TDP1TSHRKMT2A
SCHEMBL4750334 0.75 RECQL (0.47) LMNAF2TDP1TSHRRAB9A
SCHEMBL28310222 0.74 LMNA (0.53) LMNAF2TDP1TSHRRAB9A
SCHEMBL27722919 0.74 RECQL (0.46) LMNATDP1AKT1RAB9AKMT2A
SCHEMBL1315543 0.73 LMNA (0.58) LMNAF2TDP1TSHRKMT2A

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
US-4990648-A Process for producing an alkylthiobenzoate ICI AMERICAS INC. (US) 1991-02-05 US claimed
WO-1990006915-A1 PROCESS FOR PRODUCING 2-ALKYL- AND 2-(SUBSTITUTED ALKYL)-4-ALKYLTHIO AND ALKYLSULFONYL-BENZOIC ACIDS AND THEIR DERIVATIVES ICI AMERICAS INC. (US) 1990-06-28 WO claimed
CN-104136442-A PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA 2014-11-05 CN disclosed
CN-103443105-A Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2013-12-11 CN disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
EP-1044190-B1 SYNTHESIS OF 11-ARYL-5,6-DIHYDRO-11H-DIBENZ(B,E)AZEPINES JOHNSON MATTHEY PHARMACEUTICAL (US) 2005-02-02 EP disclosed
US-5648525-A Method for preparation of herbicide intermediates ZENECA LIMITED (GB) 1997-07-15 US disclosed
EP-0272742-B1 METHOD FOR PREPARATION OF MERCAPTOBENZOATES STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1991-10-16 EP disclosed
US-4990648-A Process for producing an alkylthiobenzoate ICI AMERICAS INC. (US) 1991-02-05 US disclosed
WO-1990006915-A1 PROCESS FOR PRODUCING 2-ALKYL- AND 2-(SUBSTITUTED ALKYL)-4-ALKYLTHIO AND ALKYLSULFONYL-BENZOIC ACIDS AND THEIR DERIVATIVES ICI AMERICAS INC. (US) 1990-06-28 WO disclosed
EP-0272742-A1 Method for preparation of mercaptobenzoates STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1988-06-29 EP disclosed
US-4704467-A Method for preparation of mercaptobenzoates STAUFFER CHEMICAL COMPANY (US) 1987-11-03 US disclosed
US-4626551-A ETHYLENE GLYCOL; RHODIUM CARBONYL CATALYST COMPLEX, TETRAGLYME AND SULFOLANE SOLVENT MIXTURE UNION CARBIDE CORPORATION (US) 1986-12-02 US disclosed
US-4257972-A SAID CATALYST BEING A COMPLEX CONTAINING RHODIUM, PHOSPHORUS AND CARBON MONOXIDE UNION CARBIDE CORPORATION (US) 1981-03-24 US disclosed
US-4224237-A Catalytic process for polyhydric alcohols and derivatives UNION CARBIDE CORPORATION (US) 1980-09-23 US disclosed
US-4199520-A CATALYST FOR PRODUCING ALCOHOLS FROM SYNTHESIS GAS UNION CARBIDE CORPORATION (US) 1980-04-22 US disclosed
US-4180517-A FROM SYNTHESIS GAS USING A RHODIUM CARBONYL PHOSPHIDO CLUSTER COMPOUND AS CATALYST UNION CARBIDE CORPORATION (US) 1979-12-25 US disclosed
US-4115433-A RHODIUM CARBONYL SULFUR CLUSTER COMPOUND UNION CARBIDE CORPORATION (US) 1978-09-19 US disclosed
US-3944588-A RHODIUM CARBONYL, TRIALKANOLAMINE BORATE UNION CARBIDE CORPORATION (US) 1976-03-16 US disclosed