SCHEMBL3717291

SCHEMBL3717291

CCNc1ccc2nc(Oc3ccc(OC(C)C4CC4)cc3C)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
PDE4B Q07343 2/20 0.31
P2RX3 P56373 1/20 0.31
SCN9A Q15858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3720739 0.91 MAPT (0.39) MAPTP2RX3SCN9ANPC1RAB9A
SCHEMBL3720648 0.88 MAPT (0.36) MAPTP2RX3ALDH1A1HPGDTSHR
SCHEMBL3720742 0.85 MAPT (0.37) MAPTPDE4BP2RX3SCN9ATP53
SCHEMBL3724494 0.83 MAOA (0.33) MAPT
SCHEMBL3720723 0.83 MAPT (0.44) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL3722666 0.81 MAOA (0.37) MAPTHPGD
SCHEMBL3720645 0.81 MAPT (0.39) MAPTRAB9AKDM4EALDH1A1LMNA
SCHEMBL3719669 0.80 PDE4B (0.49) MAPTPDE4BSCN9AALDH1A1GAA
SCHEMBL3720126 0.80 CRHR1 (0.39) MAPTP2RX3NPC1RAB9ATP53
SCHEMBL3717667 0.80 MAPT (0.34) MAPTP2RX3SCN9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed