SCHEMBL7019902

SCHEMBL7019902

[O]CC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KIF11 P52732 1/20 0.43
CYP2D6 P10635 2/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
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
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 3/20 0.39

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
SCHEMBL9368021 0.86 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL32684616 0.85 CRHBP (0.56) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL9875296 0.85 CRHBP (0.60) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL7019908 0.83 CRHBP (0.58) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL1203770 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL1133337 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL10996526 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL2159876 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL28553963 0.82 CRHBP (0.57) CRHBPCRHR2ESR1ESR2LMNA
SCHEMBL8869436 0.82 CRHBP (0.53) CRHBPCRHR2ESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4336196-A IN THE PRESENCE OF AN ORGANOSODIUM COMPOUND NIPPON SODA COMPANY LIMITED (JP) 1982-06-22 US disclosed