SCHEMBL4644228

SCHEMBL4644228

CC[CH]C(=O)Oc1cccc(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SRC P12931 1/20 0.49
MAOB P27338 8/20 0.47
MAOA P21397 7/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.43
UNG P13051 1/20 0.42

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
SCHEMBL4643919 0.88 NPC1 (0.49) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL1244858 0.82 ACHE (0.58) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL4641692 0.81 NPC1 (0.55) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL4643933 0.80 CYP3A4 (0.61) KMT2APOLBMEN1
SCHEMBL4646086 0.80 KMT2A (0.56) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2094506 0.80 CYP3A4 (0.59) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL29456918 0.80 CYP3A4 (0.59) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL8581214 0.79 POLB (0.50) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL1665199 0.79 ALDH1A1 (0.50) NPC1KMT2APOLBALDH1A1MEN1
SCHEMBL8579838 0.79 SRC (0.58) NPC1KMT2APOLBALDH1A1MEN1

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 3 patents. 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
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed