SCHEMBL7129080

SCHEMBL7129080

Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 3/20 0.33
SERPINE1 P05121 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL26729992 0.88 LMNA (0.37) ESR1KMT2ALMNAKDM4EPOLB
SCHEMBL13404895 0.84 MGLL (0.37) CYP2C9KMT2ALMNAKDM4ETDP1
SCHEMBL2575973 0.81 CA12 (0.42) KMT2ALMNAPOLBTDP1CA1
SCHEMBL5051177 0.80 MGLL (0.35) KMT2ALMNATDP1L3MBTL1MEN1
SCHEMBL17747110 0.79 CA12 (0.46) KMT2ALMNAKDM4EPOLBGAA
SCHEMBL13404894 0.77 CA12 (0.42) CYP2C9KMT2ALMNAKDM4EPOLB
SCHEMBL3867866 0.77 ALDH1A1 (0.45) KMT2ALMNAKDM4EPOLBGAA
SCHEMBL300884 0.76 CA12 (0.42) CYP2C9KMT2ALMNAKDM4EGAA
SCHEMBL8433813 0.76 KMT2A (0.50) CYP2C9KMT2ALMNATDP1MEN1
SCHEMBL22076666 0.76 MGLL (0.33) KMT2AKDM4ECA1MEN1CA12

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
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US claimed
EP-0754178-B1 NOVEL FUNCTIONALIZED HYDROPHILIC ACRIDINIUM ESTERS BAYER AG (US) 2003-01-15 EP disclosed
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
EP-0982298-A1 Novel functionalized hydrophilic acridinium esters Ciba Corning Diagnostics Corp. (US) 2000-03-01 EP disclosed
US-5879894-A DETECTION AND/OR QUANTITATION OF AT LEAST TWO SUBSTANCES IN A TEST SAMPLE; APPLICATION IN CLINICAL DIAGNOSTICS CHIRON DIAGNOSTICS CORPORATION (US) 1999-03-09 US disclosed
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US disclosed
US-5656426-A USEFUL AS CHEMILUMINESCENT AGENT IN IMMUNOASSAY AND GENE PROBE ASSAY WITH IMPROVED SENSITIVITY CHIRON DIAGNOSTICS CORPORATION (US) 1997-08-12 US disclosed
EP-0754178-A1 NOVEL FUNCTIONALIZED HYDROPHILIC ACRIDINIUM ESTERS Ciba Corning Diagnostics Corp. (US) 1997-01-22 EP disclosed
WO-1995027702-A1 NOVEL FUNCTIONALIZED HYDROPHILIC ACRIDINIUM ESTERS CIBA CORNING DIAGNOSTICS CORP. (US) 1995-10-19 WO disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed