SCHEMBL1896550

SCHEMBL1896550

CCC(C)(C)C(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.71
RAB9A P51151 8/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
MAPK1 P28482 3/20 0.71
LMNA P02545 3/20 0.71
CASP3 P42574 2/20 0.71
SENP8 Q96LD8 2/20 0.71
SENP7 Q9BQF6 2/20 0.71
SENP6 Q9GZR1 2/20 0.71
ATM Q13315 2/20 0.71
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PLA2G1B P04054 2/20 0.64
ATG4B Q9Y4P1 2/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
MAPT P10636 3/20 0.50
PARG Q86W56 2/20 0.49
ELANE P08246 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
SCHEMBL29482674 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL187755 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL36613 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL29402468 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL13824790 0.78 NPC1 (0.90) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL29012533 0.77 NPC1 (0.89) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL867392 0.77 NPC1 (0.96) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL8624460 0.77 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL17191309 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL6688355 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPK1LMNA

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
WO-2011063332-A2 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-26 WO claimed
WO-2011063332-A2 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-26 WO disclosed