SCHEMBL6051277

SCHEMBL6051277

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2231426 0.85 NPC1 (0.41) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL2944734 0.81 NPC1 (0.40) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL30389113 0.81 NPC1 (0.40) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL29011955 0.81 NPC1 (0.38) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL4436624 0.80 NPC1 (0.37) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL29501855 0.79 CA2 (0.52) NPC1RAB9ALMNAPOLBTSHR
SCHEMBL424271 0.79 CA2 (0.52) NPC1RAB9ALMNAPOLBTSHR
SCHEMBL29053348 0.77 NPC1 (0.40) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL6035514 0.76 NPC1 (0.36) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL8024417 0.75 CA2 (0.41) NPC1RAB9ALMNAPOLBTSHR

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
EP-1680463-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
WO-2005049715-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-02 WO disclosed