SCHEMBL2874208

SCHEMBL2874208

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCC(O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
USP30 Q70CQ3 1/20 0.33
OPRM1 P35372 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I2 O75469 2/20 0.31

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
SCHEMBL2874240 1.00 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2877206 1.00 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2879449 0.95 KDM4E (0.36) KDM4EHTTATMUSP30OPRM1
SCHEMBL2879323 0.94 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2878858 0.93 KDM4E (0.39) KDM4EHTTATMUSP30ADORA3
SCHEMBL2878752 0.92 GRM5 (0.35) KDM4EHTTATMOPRM1NR1I2
SCHEMBL3809138 0.92 OPRM1 (0.38) KDM4EHTTATMOPRM1MEN1
SCHEMBL2879111 0.91 IKBKB (0.37) KDM4EHTTATMCNR1CNR2
SCHEMBL2870824 0.91 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2881302 0.91 HSD17B1 (0.34) KDM4EHTTATMMEN1ALDH1A1

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 2 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