SCHEMBL4646128

SCHEMBL4646128

C=C(CCC(=O)Oc1cccc(C=O)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SRC P12931 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UNG P13051 1/20 0.41
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4644232 0.82 NPC1 (0.50) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4642352 0.82 KMT2A (0.66) KMT2AMAPTHPGDALDH1A1KDM4E
SCHEMBL4643923 0.81 KMT2A (0.55) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4641719 0.81 KMT2A (0.50) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL1665199 0.80 ALDH1A1 (0.50) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4644755 0.80 NPC1 (0.51) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4641696 0.79 NPC1 (0.52) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4647125 0.78 KMT2A (0.55) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL4644532 0.77 SRC (0.51) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL11202479 0.77 KMT2A (0.54) MAOAMAOBKMT2ANPC1RAB9A

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed