SCHEMBL4567265

SCHEMBL4567265

CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCCO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 11/20 0.51
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CASP1 P29466 1/20 0.51
MCL1 Q07820 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TSHR P16473 3/20 0.49
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
RECQL P46063 2/20 0.48
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL940111 0.88 RAB9A (0.61) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL18804816 0.87 NPC1 (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL17013151 0.86 NPC1 (0.48) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL12604864 0.86 NPC1 (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1022959 0.85 RAB9A (0.68) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL24178752 0.84 NPC1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13695374 0.84 NPC1 (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL984289 0.84 RAB9A (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13411435 0.84 NPC1 (0.51) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6404645 0.84 NPC1 (0.54) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318844-B2 Oil-dispersible composite of metallic nanoparticle and method for synthesizing same NATIONAL TAIWAN UNIVERSITY (TW) 2012-11-27 US disclosed
US-20120123037-A1 OIL-DISPERSIBLE COMPOSITE OF METALLIC NANOPARTICLE AND METHOD FOR SYNTHESIZING SAME NATIONAL TAIWAN UNIVERSITY (TW) 2012-05-17 US disclosed