SCHEMBL1127591

SCHEMBL1127591

CCOC(=O)c1cc2ccccc2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
POLB P06746 4/20 0.69
MAPT P10636 2/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
TSHR P16473 1/20 0.58
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
AHR P35869 2/20 0.56
RAB9A P51151 2/20 0.56
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
CDC25B P30305 2/20 0.52

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
SCHEMBL29389855 0.86 TSHR (0.70) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL8927648 0.86 TSHR (0.70) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL24953219 0.86 KDM4E (0.55) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL18050536 0.84 TSHR (0.54) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL2900687 0.84 KMT2A (0.65) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL11983357 0.83 TSHR (0.53) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL620668 0.83 ALDH1A1 (0.71) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL10900936 0.83 TSHR (0.66) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL28903404 0.82 TSHR (0.51) KDM4EPOLBMAPTLMNASMN1; SMN2
SCHEMBL7229272 0.82 KDM4E (0.56) KDM4EPOLBMAPTLMNASMN1; SMN2

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-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed