SCHEMBL9011906

SCHEMBL9011906

C(CCOC1CCCCC1)CCOC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
NAAA Q02083 3/20 0.39
SPHK1 Q9NYA1 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PRKCA P17252 1/20 0.31
EPHX1 P07099 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
SCHEMBL262805 1.00 NPC1 (0.54) NPC1NAAASPHK1CA1CA2
SCHEMBL9011791 1.00 NPC1 (0.54) NPC1NAAASPHK1CA1CA2
SCHEMBL9011682 1.00 NPC1 (0.54) NPC1NAAASPHK1CA1CA2
SCHEMBL2513245 0.97 NPC1 (0.50) NPC1NAAASPHK1PRKCA
SCHEMBL2513761 0.97 NPC1 (0.50) NPC1NAAASPHK1PRKCA
SCHEMBL9011558 0.97 NPC1 (0.56) NPC1NAAASPHK1CA1CA2
SCHEMBL1898488 0.89 NAAA (0.50) NPC1NAAAHPGDSIGMAR1
SCHEMBL6548864 0.89 NAAA (0.50) NPC1NAAAHPGDSIGMAR1
SCHEMBL8743876 0.89 NAAA (0.50) NPC1NAAAHPGDSIGMAR1
SCHEMBL6322731 0.89 NPC1 (0.45) NPC1NAAA

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-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed