SCHEMBL7734869

SCHEMBL7734869

CC(C(=O)O)c1cc(Cl)cc2nc(Cc3c(F)cccc3Cl)oc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7734862 0.79 SLC22A12 (0.41) ALDH1A1KDM4EAKR1B1
SCHEMBL7724872 0.74 GAA (0.36) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL7735189 0.74 GAA (0.36) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL11642466 0.70 MAOA (0.56) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL7734855 0.66 SIRT2 (0.34) KMT2AMEN1AKR1B1
SCHEMBL7737446 0.66 PGK1 (0.35) ALDH1A1KMT2AMEN1AKR1B1
SCHEMBL7733878 0.65 RAB9A (0.43) POLBNPC1RAB9AAKR1B1
SCHEMBL1679090 0.64 CXCL8 (0.56) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL6612158 0.63 MAOA (0.62) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL1262377 0.62 PTGS2 (0.43) KMT2AMEN1MAPTPTGS1PTGS2

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed