SCHEMBL7470568

SCHEMBL7470568

CCON=C(C(C)=C(ON)c1ccccc1C(=COC)C(=O)OC)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BACE1 P56817 2/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
MAOB P27338 2/20 0.32
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 2/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL7467262 0.93 MAPK14 (0.39) MAPK14KMT2AHIF1A
SCHEMBL7465135 0.92 MAOB (0.43) MAOBHIF1AATMPPARGPPARA
SCHEMBL7463037 0.90 SMN1; SMN2 (0.38) MAPK14MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL7469591 0.89 RAB9A (0.31) ATMSMN1; SMN2KDM4E
SCHEMBL7469946 0.87 ALDH1A1 (0.35) SMN1; SMN2KDM4E
SCHEMBL8180161 0.87 MAPK14 (0.39) MAPK14KMT2AHIF1A
SCHEMBL7742091 0.86 MAOB (0.47) MAOBHIF1AHTT
SCHEMBL7465788 0.86 MAOB (0.47) MAOBHIF1AHTT
SCHEMBL7466206 0.83 MAPK14 (0.36) MAPK14MEN1KMT2ABACE1CYP1A1
SCHEMBL7467521 0.83 MAOB (0.40) MEN1KMT2AMAOBHIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed