SCHEMBL2877204

SCHEMBL2877204

CC1CCC(N(C(=O)C2CCC(O)CC2)c2cc(-c3ccccc3)sc2C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NR1I2 O75469 2/20 0.40
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2E1 P05181 1/20 0.34

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
Vch-759 Free Acid SCHEMBL5029770 1.00 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
Vch-759 Free Acid SCHEMBL101720 1.00 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
Vch-759 Free Acid SCHEMBL2874237 1.00 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2878321 0.97 KDM4E (0.42) KDM4EHTTATMNR1I2PTPRF
SCHEMBL17635079 0.97 KDM4E (0.42) KDM4EHTTATMNR1I2PTPRF
SCHEMBL14030913 0.95 NR1I2 (0.39) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2879448 0.95 NR1I2 (0.39) KDM4EHTTATMNR1I2PTPRF
SCHEMBL14030938 0.94 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2876807 0.94 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL14030907 0.94 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP disclosed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP disclosed