SCHEMBL4641996

SCHEMBL4641996

CCOc1cccc(C=O)c1OC(=O)CCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
TOP2A P11388 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.40
ATM Q13315 2/20 0.40
AGTR1 P30556 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL4647832 0.89 TOP2A (0.46) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4645983 0.88 MEN1 (0.44) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4645166 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4647819 0.87 KMT2A (0.43) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4641679 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4644528 0.86 SRC (0.55) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4644179 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6553840 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4642373 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6553836 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A

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