SCHEMBL9453572

SCHEMBL9453572

CON=C(C(=O)OC)C(C)=NOCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CA1 P00915 2/20 0.37

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
SCHEMBL7787118 0.83 HIF1A (0.45) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL7787117 0.83 HIF1A (0.45) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL9453585 0.74 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1MAOAMAOB
SCHEMBL10913898 0.74 SMN1; SMN2 (0.46) RAB9ANPC1ALDH1A1MAOAMAOB
SCHEMBL10913900 0.74 SMN1; SMN2 (0.46) RAB9ANPC1ALDH1A1MAOAMAOB
SCHEMBL7787051 0.73 ALDH1A1 (0.46) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL7787252 0.73 ALDH1A1 (0.46) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL7787248 0.73 ALDH1A1 (0.46) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL7787047 0.73 ALDH1A1 (0.46) HIF1ARAB9ANPC1ALDH1A1MAOB
SCHEMBL25923625 0.72 L3MBTL1 (0.50) RAB9ANPC1ALDH1A1MAOAMAOB

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
US-5241101-A Plant fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed