SCHEMBL9058219

SCHEMBL9058219

COC1=C(C(C)=O)Cc2cc(Br)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAOB P27338 6/20 0.36
MAOA P21397 4/20 0.36
MALT1 Q9UDY8 1/20 0.35
KMT2A Q03164 2/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL9058193 0.86 MTNR1A (0.44) CA12CA9MAOBMAOAKMT2A
SCHEMBL9058487 0.80 MAOA (0.44) CA12CA9MAOBMAOAKMT2A
SCHEMBL9058295 0.77 ALDH1A1 (0.41) CA12CA9MAOBKMT2AMAPK1
SCHEMBL8184368 0.69 AHR (0.58) CA12CA9MAOBMAOAMAPT
SCHEMBL29949260 0.69 AHR (0.58) CA12CA9MAOBMAOAMAPT
SCHEMBL9057184 0.68 TDP2 (0.34) CA12CA9MAOACCNE1CDK2
SCHEMBL9058022 0.68 KDM4E (0.42) CA12CA9KMT2AMAPTNPSR1
SCHEMBL3335046 0.67 MAOA (0.45) MAOBMAOASIRT2
SCHEMBL30697936 0.67 MAOA (0.45) MAOBMAOASIRT2
SCHEMBL5104010 0.66 ALDH1A1 (0.44) MAOBKMT2AMAPTMEN1MAPK1

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
WO-1996020296-A1 USE OF CHROMIUM DERIVATIVES AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed