SCHEMBL5503013

SCHEMBL5503013

O=C(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
SMYD3 Q9H7B4 2/20 0.46
SRD5A2 P31213 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KIF11 P52732 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL10407674 0.88 CTNNB1 (0.61) CTNNB1WNT3ASMYD3SRD5A2NPC1
SCHEMBL5753071 0.86 ALDH1A1 (0.52) CTNNB1WNT3ASMYD3SRD5A2RAB9A
SCHEMBL1907961 0.85 KDM4E (0.49) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL15104920 0.85 TSHR (0.53) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL31085181 0.85 KDM4E (0.49) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL2647988 0.82 CTNNB1 (0.55) CTNNB1WNT3ASMYD3ATM
SCHEMBL758294 0.80 KDM4E (0.47) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL10407995 0.79 CTNNB1 (0.52) CTNNB1WNT3ASMYD3SRD5A2NPC1
SCHEMBL758358 0.79 CTNNB1 (0.42) CTNNB1WNT3ASMYD3KIF11CNR1
SCHEMBL758623 0.78 CTNNB1 (0.44) CTNNB1WNT3ASMYD3KIF11TSHR

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-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 WO disclosed