SCHEMBL6035514

SCHEMBL6035514

CC(C)(CC(C)(C)c1ccccc1)CC(C)(C)c1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
KCNA5 P22460 3/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL2944734 0.85 NPC1 (0.40) NPC1RAB9ALMNAPOLBATM
SCHEMBL30389113 0.85 NPC1 (0.40) NPC1RAB9ALMNAPOLBATM
SCHEMBL2231426 0.81 NPC1 (0.41) NPC1RAB9ALMNAPOLBATM
SCHEMBL29904482 0.81 NPC1 (0.41) NPC1RAB9ALMNAPOLBATM
SCHEMBL20272359 0.81 NPC1 (0.41) NPC1RAB9ALMNAPOLBATM
SCHEMBL4436624 0.79 NPC1 (0.37) NPC1RAB9ALMNAPOLBATM
SCHEMBL8861287 0.78 NPC1 (0.39) NPC1RAB9ALMNAPOLBATM
SCHEMBL424271 0.78 CA2 (0.52) NPC1RAB9ALMNAPOLBATM
SCHEMBL29501855 0.78 CA2 (0.52) NPC1RAB9ALMNAPOLBATM
SCHEMBL6051277 0.76 NPC1 (0.37) NPC1RAB9ALMNAPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636310-A1 ACRYLIC DISPERSING AGENTS IN NANOCOMPOSITES Polymers Australia PTY Limited (AU) 2006-03-22 EP disclosed
WO-2004113436-A1 ACRYLIC DISPERSING AGENTS IN NANOCOMPOSITES POLYMERS AUSTRALIA PTY. LIMITED (AU) 2004-12-29 WO disclosed
US-20040138350-A1 Stabilized metallocene polyolefins BASF AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed