SCHEMBL4619939

SCHEMBL4619939

CCC(C)(C)c1[c]c2ccccc2c(C(C)(C)CC)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL6161512 0.71 NPC1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL2498899 0.70 NPC1 (0.31) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL6162150 0.68
SCHEMBL779788 0.66 MAPK1 (0.41) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL9914279 0.66 TSHR (0.38) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL28112953 0.66 NPC1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL25766604 0.66 NPC1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL677804 0.65 NPC1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL2127614 0.65 ALDH1A1 (0.43)
SCHEMBL22415044 0.64 HTR2A (0.36) NPC1LMNAMAPK1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080206672-A1 Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed
EP-1142961-B1 Dye complex and optical information recording medium FUJIFILM CORP (JP) 2008-08-06 EP disclosed
EP-1886828-A1 OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM Corporation (JP) 2008-02-13 EP disclosed
US-6506539-B2 Recording; compact disks, television; complex of cyanine dye and tetracyanoquinodmethane compound FUJI PHOTO FILM CO., LTD. (JP) 2003-01-14 US disclosed
US-20020025491-A1 Dye complex and optical information recording medium FUJIFILM CORPORATION (JP) 2002-02-28 US disclosed
EP-1142961-A2 Dye complex and optical information recording medium FUJI PHOTO FILM CO., LTD. (JP) 2001-10-10 EP disclosed