SCHEMBL7959583

SCHEMBL7959583

COC(=O)c1ccc(C(F)(F)F)cc1Oc1ccccc1[N+](=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
SCN8A Q9UQD0 6/20 0.43
SCN10A Q9Y5Y9 6/20 0.43
POLB P06746 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL1367400 0.88 MAPT (0.56) CFTRMAPTTDP1LMNASCN8A
SCHEMBL1364802 0.81 CFTR (0.64) CFTRMAPTSCN8ASCN10ANPSR1
SCHEMBL31098224 0.79 MAPT (0.62) CFTRMAPTTDP1LMNAPOLB
SCHEMBL1365207 0.79 MAPT (0.71) CFTRMAPTTDP1LMNAPOLB
SCHEMBL12142560 0.76 MAPT (0.58) MAPTTDP1LMNASCN8ASCN10A
SCHEMBL16302025 0.75 SCN8A (0.53) CFTRMAPTTDP1SCN8ASCN10A
SCHEMBL24901813 0.75 CFTR (0.67) CFTRMAPTLMNAKDM4EUSP2
SCHEMBL24518270 0.75 SCN10A (0.61) CFTRSCN8ASCN10A
SCHEMBL9118601 0.74 MAPT (0.53) CFTRMAPTTDP1LMNAPOLB
SCHEMBL1365182 0.73 CFTR (0.64) CFTRMAPTTDP1LMNASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137499-A1 INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed