SCHEMBL7019908

SCHEMBL7019908

O=C(CO)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KIF11 P52732 1/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2D6 P10635 2/20 0.41
SRC P12931 1/20 0.41
KLK7 P49862 2/20 0.41
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL9875296 0.85 CRHBP (0.60) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL32684616 0.85 CRHBP (0.56) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL10641894 0.85 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL4911331 0.84 CRHBP (0.69) CRHBPCRHR2ESR1ESR2TSHR
SCHEMBL28234276 0.84 CRHBP (0.51) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL7019902 0.83 CRHBP (0.54) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL1203770 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL1133337 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL2159876 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL9368021 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922436-A Tricyclic compound with sulfinyl or sulfonyl 盐野义制药株式会社 2018-04-17 CN disclosed
EP-0842180-B1 PENAM SULFONES AS BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2003-01-22 EP disclosed
EP-0842180-A1 NOVEL PENAM SULFONES AS BETA-LACTAMASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1998-05-20 EP disclosed
US-5686441-A 3-(SUBSTITUTED)-3-METHYL-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2 -CARBOXYLATE-4,4-DIOXIDES SYPHAR LABORATORIES, INC. (CA) 1997-11-11 US disclosed
WO-1997006172-A1 NOVEL PENAM SULFONES AS BETA-LACTAMASE INHIBITORS SYNPHAR LABORATORIES, INC. (US) 1997-02-20 WO disclosed
EP-0544958-A1 Cephalosporin compounds and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1993-06-09 EP disclosed
EP-0173899-B1 2,3-DIHYDROBENZOFURAN-5-SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-12-18 EP disclosed
CN-1014148-B PROCESS FOR PREPARATION OF 2,3-DIHYDROBENZOFURAN-5-SULFONYLAMINE DERIVS. SHIONOGI & CO (JP) 1991-10-02 CN disclosed
CN-1043717-A Cephalosporin compound TANABE SEIYAKU CO (JP) 1990-07-11 CN disclosed
US-4659709-A LESS ADVERSE SIDE-EFFECTS SHIONOGI & CO. (JP) 1987-04-21 US disclosed
CN-85107226-A 2, the preparation method of 3-Dihydrobenzofuranes-5-sulfone amide derivative 1987-04-08 CN disclosed
EP-0189596-A1 Benzofuran and benzothiophene derivatives SHIONOGI & CO., LTD. (JP) 1986-08-06 EP disclosed
EP-0173899-A2 2,3-Dihydrobenzofuran-5-sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1986-03-12 EP disclosed
US-4336196-A IN THE PRESENCE OF AN ORGANOSODIUM COMPOUND NIPPON SODA COMPANY LIMITED (JP) 1982-06-22 US disclosed