SCHEMBL6987698

SCHEMBL6987698

COc1cc(CC(=O)CCC2CCCCC2)c(OC)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ELANE P08246 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 7/20 0.40
HTR4 Q13639 7/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6983685 0.86 ACHE (0.47) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3843646 0.78 NPSR1 (0.37) NPSR1ELANEMEN1KMT2AALDH1A1
SCHEMBL8152251 0.76 TAAR1 (0.50) ELANEMEN1KMT2AKDM4ENPC1
SCHEMBL2482136 0.74 NPC1 (0.50) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7682170 0.74 NPC1 (0.50) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL30807386 0.74 CYP3A4 (0.51) ALDH1A1KDM4EHSD17B10CYP3A4TAAR1
SCHEMBL43253 0.74 CYP3A4 (0.51) ALDH1A1KDM4EHSD17B10CYP3A4TAAR1
SCHEMBL2481231 0.73 NPC1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6987389 0.72 ELANE (0.42) ELANEMEN1KMT2AALDH1A1KDM4E
SCHEMBL25281976 0.71 CYP3A4 (0.76) HSD17B10CYP3A4TAAR1

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-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed