SCHEMBL8203511

SCHEMBL8203511

CC(=Cc1ccc2oc3ccccc3c(=O)c2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
TTR P02766 3/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAOA P21397 5/20 0.52
AKR1C3 P42330 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
PGAM1 P18669 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Xanthone SCHEMBL18138444 0.77 MAOA (0.75) NPC1RAB9ATTRMAOAKDM4E
SCHEMBL1784133 0.76 MAOA (0.62) NPC1RAB9ATTRCASP3SENP8
SCHEMBL7692389 0.76 MAPT (0.49) NPC1RAB9AMAOAAKR1C3KDM4E
Xanthone SCHEMBL27726954 0.75 MAOA (0.78) NPC1RAB9ATTRMAOAKDM4E
SCHEMBL11575950 0.75 MAOA (0.60) NPC1RAB9ATTRCASP3SENP8
SCHEMBL10882826 0.74 NPC1 (1.00) NPC1RAB9ATTRCASP3SENP8
SCHEMBL1787556 0.72 TTR (1.00) NPC1RAB9ATTRMAOAKDM4E
Xanthone SCHEMBL11245548 0.72 MAOA (0.86) NPC1RAB9ATTRMAOAKDM4E
Xanthone SCHEMBL28434710 0.72 MAOA (0.95) NPC1RAB9ATTRMAOAKDM4E
Xanthone SCHEMBL9738572 0.71 NPC1 (0.73) NPC1RAB9ATTRMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048667-A FREE RADICALS OR CATION POLYMERIZABLE OR PHOTOCROSSLINKABLE MONOMERS, SUBSTRATES AND PHOTOINITIATORS, BONDING WITH SUBSTRATES CIBA SPECIALTY CHEMICALS CORP. (US) 2000-04-11 US disclosed
EP-0839341-A1 HETEROGENEOUS PHOTO-INITIATORS, PHOTOPOLYMERISABLE COMPOSITIONS AND THEIR USE Ciba SC Holding AG (CH) 1998-05-06 EP disclosed
WO-1997004361-A1 HETEROGENEOUS PHOTO-INITIATORS, PHOTOPOLYMERISABLE COMPOSITIONS AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-02-06 WO disclosed