SCHEMBL14577960

SCHEMBL14577960

C=C(C)C(=O)OCC(O)COC(=O)CCc1cc(C)c(O)c(-n2nc3ccc(C)cc3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.30
ALOX5 P09917 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL14577828 0.90 NPC1 (0.31) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL14577978 0.83 NPC1 (0.31) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14577752 0.83 NPC1 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL5357262 0.81 GAA (0.35) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7532425 0.80
SCHEMBL8040272 0.78 MAOB (0.32)
SCHEMBL8039851 0.78 MAOB (0.32)
SCHEMBL7525894 0.77 ADRB2 (0.31)
SCHEMBL4445599 0.76 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6862565 0.75

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-7173071-B2 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed