SCHEMBL6994900

SCHEMBL6994900

CC(=O)OCCc1ccc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NCEH1 Q6PIU2 4/20 0.43
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 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
SCHEMBL10391564 0.85 ALDH1A1 (0.46) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL6989892 0.81 CDYL (0.53) RAD52
SCHEMBL8474945 0.76 POLB (0.47) SMN1; SMN2NPC1MAPTRAB9ANCEH1
Acetic Acid SCHEMBL10391565 0.76 POLB (0.47) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL7062709 0.76 NCEH1 (0.44) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL4269770 0.75 CYP1A2 (0.53) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL7060600 0.75 PRNP (0.44) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL7061781 0.75 PRNP (0.42) SMN1; SMN2NPC1MAPTRAB9ANCEH1
SCHEMBL218139 0.74 RAD52 (0.48) RAD52NPC1MAPTRAB9APOLB
SCHEMBL7060990 0.74 SMN1; SMN2 (0.45) SMN1; SMN2NPC1MAPTRAB9ANCEH1

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 19 patents. 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-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT 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
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-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 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