SCHEMBL1818378

SCHEMBL1818378

C=C(CCCOC1CC2CC1C1CCCC21)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
CA12 O43570 2/20 0.39
GMNN O75496 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1822235 0.95 NPC1 (0.38) NPC1RAB9ANPSR1L3MBTL1MAPT
SCHEMBL1819188 0.95 NPC1 (0.38) NPC1RAB9ANPSR1L3MBTL1MAPT
SCHEMBL1820438 0.77 POLB (0.33)
SCHEMBL1819850 0.77
SCHEMBL1660821 0.76 MAPT (0.44) NPC1RAB9ANPSR1L3MBTL1MAPT
SCHEMBL1822726 0.76 PPP5C (0.36)
SCHEMBL1821952 0.76 PPP5C (0.36)
SCHEMBL1821984 0.76 NPC1 (0.34) NPC1RAB9ANPSR1L3MBTL1MAPT
SCHEMBL1658790 0.74 MAPT (0.41) NPC1RAB9ANPSR1L3MBTL1MAPT
SCHEMBL720061 0.73 NAAA (0.39) NPC1LMNACYP2C19

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-20110112266-A1 CURABLE COPOLYMER AND CURABLE RESIN COMPOSITION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-12 US disclosed