SCHEMBL6989892

SCHEMBL6989892

CC(=O)OCCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.53
MTNR1A P48039 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
RAD52 P43351 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SIRT5 Q9NXA8 1/20 0.47
ATM Q13315 1/20 0.47
NQO2 P16083 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL7808904 0.91 CDYL (0.63) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL5655818 0.85 TDP1 (0.53) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL20917770 0.85 TDP1 (0.51) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL31467476 0.84 CDYL (0.49) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL68440 0.84 CDYL (0.49) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL6421722 0.83 MTNR1A (0.58) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL6421718 0.83 TDP1 (0.50) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL487420 0.83 KMT2A (0.55) TDP1KDM4EALDH1A1SIRT5ATM
Hydrochloric Acid SCHEMBL31467475 0.82 CDYL (0.47) CDYLMTNR1ATDP1KDM4ECHRM5
SCHEMBL6994900 0.81 RAD52 (0.48) RAD52

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
EP-1028962-B1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1023062-B1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-12-18 EP disclosed
US-6399597-B1 CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1032383-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6294529-B1 ANTIBIOTICS BACTERICIDES MERCK & CO., INC. 2001-09-25 US disclosed
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
US-6140318-A FOR TREATING BACTERIAL INFECTIONS MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-1032383-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1023062-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-02 EP disclosed
US-6008212-A ANTIBIOTICS AGAINST METHICILLIN RESISTANT STAPHYLOCOCCI MERCK & CO., INC. (US) 1999-12-28 US disclosed
US-5994345-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1999020269-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999018954-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-22 WO disclosed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP disclosed