SCHEMBL6522229

SCHEMBL6522229

C=C(CC(=O)Oc1cccc2ccccc12)C(=O)OCC(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6515926 0.87 MEN1 (0.46) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL6520550 0.83 NPC1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6522170 0.82 ALDH1A1 (0.43) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL6520288 0.81 ALDH1A1 (0.44) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL6524364 0.79 ALDH1A1 (0.44) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL6513801 0.79 ALDH1A1 (0.42) RAB9AALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6516611 0.79 ALDH1A1 (0.46) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL6519192 0.79 CYP2C19 (0.41) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6523837 0.79 CYP2C19 (0.41) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6520993 0.78 ALDH1A1 (0.40) MEN1KMT2ARAB9AL3MBTL1ALDH1A1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed