SCHEMBL6904018

SCHEMBL6904018

O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)[nH]3)s2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
PTPN1 P18031 2/20 0.36
DAO P14920 5/20 0.36
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
SRD5A2 P31213 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9750144 0.82 KDM4E (0.63) KDM4EHPGDHSD17B10USP2PTPN1
SCHEMBL6902910 0.77 GAA (0.50) KDM4EHPGDHSD17B10USP2MAPT
SCHEMBL7565683 0.77 KMT2A (0.55) KDM4EHPGDHSD17B10USP2DAO
SCHEMBL70048 0.74 NFKB1 (0.57) KDM4EHPGDHSD17B10USP2DAO
SCHEMBL308253 0.72 KDM4E (0.69) KDM4EHPGDHSD17B10USP2PTPN1
Hydrochloric Acid SCHEMBL11595983 0.71 NFKB1 (0.55) KDM4EHPGDHSD17B10USP2DAO
SCHEMBL28802807 0.71 NFKB1 (0.55) KDM4EHPGDHSD17B10USP2DAO
Hydrochloric Acid SCHEMBL6335114 0.71 KDM4E (0.67) KDM4EHPGDHSD17B10USP2PTPN1
SCHEMBL3154080 0.68 KDM4E (1.00) KDM4EHPGDHSD17B10USP2PTPN1
SCHEMBL6890851 0.68 KDM4E (0.68) KDM4EHPGDHSD17B10USP2PTPN1

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-6696575-B2 POLYTHIOPHENE-POLYPYRROLE BLOCK COPOLYMER; NERVOUS SYSTEM REGENERATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-02-24 US disclosed
US-20030066987-A1 Biodegradable, electrically conducting polymer for tissue engineering applications AXOGEN CORPORATION 2003-04-10 US disclosed
WO-2002076288-A2 BIODEGRADABLE, ELECTRICALLY CONDUCTIONG POLYMER FOR TISSUE ENGINEERING APPLICATIONS BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-03 WO disclosed