SCHEMBL7548836

SCHEMBL7548836

COc1ccc2oc(COc3ccc(NC(C)=O)c(C)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
PTK2 Q05397 1/20 0.44
CEPT1 Q9Y6K0 1/20 0.44
THRB P10828 2/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
PPARD Q03181 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7547607 0.92 MAPT (0.46) MAPTLMNARXFP1CEPT1THRB
SCHEMBL7542942 0.91 AGPAT2 (0.43) MAPTLMNARXFP1TSHRCEPT1
SCHEMBL7541702 0.89 MAPT (0.45) MAPTLMNARXFP1TSHRTHRB
SCHEMBL7547636 0.89 DRD2 (0.46) MAPTLMNARXFP1CEPT1THRB
SCHEMBL7541140 0.89 LMNA (0.53) MAPTLMNARXFP1THRBRAB9A
SCHEMBL7542425 0.87 ALOX5 (0.48) MAPTLMNARAB9ANPC1MEN1
SCHEMBL7541056 0.86 CETP (0.44) TSHRPPARDCYP1A2CYP2C9CYP2C19
SCHEMBL7541102 0.85 NPC1 (0.45) MAPTLMNAHTTCEPT1RAB9A
SCHEMBL7541510 0.84 AGPAT2 (0.50) MAPTLMNARXFP1TSHRRAB9A
SCHEMBL7544004 0.84 MAPT (0.46) MAPTLMNATSHRTHRBRAB9A

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
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed