SCHEMBL5040968

SCHEMBL5040968

N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
KDM4E B2RXH2 4/20 0.65
HPGD P15428 4/20 0.65
MAPT P10636 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
KMT2A Q03164 2/20 0.64
HTT P42858 2/20 0.64
PKM P14618 1/20 0.60
LMNA P02545 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
EGFR P00533 2/20 0.57
TAS2R14 Q9NYV8 1/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL5040966 1.00 CRHBP (0.67) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL5717695 0.87 CRHBP (0.65) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL5717693 0.87 CRHBP (0.65) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL12732154 0.85 EGFR (0.62) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL10358119 0.83 CRHBP (0.76) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL10358118 0.83 CRHBP (0.76) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL9361490 0.83 MAOB (0.71) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL9361118 0.81 MAOB (0.65) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL17465786 0.80 CRHBP (1.00) CRHBPCRHR2KDM4EHPGDMAPT
SCHEMBL8366345 0.80 CRHBP (1.00) CRHBPCRHR2KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US claimed
US-20080275153-A1 UV curable resin, its preparation and composition containing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2008-11-06 US disclosed
US-7425400-B2 Planographic printing plate precursor FUJIFILM CORPORATION (JP) 2008-09-16 US disclosed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US disclosed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 US disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed
US-4791188-A ULTRAVIOLET LIGHT ABSORBERS; NONEXTRACTABLE; BEVERAGE AND FOOD CONTAINERS; POLYESTERS AND POLYCARBONATES EASTMAN KODAK COMPANY (US) 1988-12-13 US disclosed