SCHEMBL6902910

SCHEMBL6902910

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
KDM4E B2RXH2 2/20 0.50
GLA P06280 2/20 0.50
BACE1 P56817 1/20 0.44
CYP1A2 P05177 1/20 0.40
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TSHR P16473 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL15443967 0.81 BACE1 (0.44) GAAKDM4EGLABACE1CYP1A2
SCHEMBL7563324 0.80 KMT2A (0.59) GAAKDM4EGLABACE1L3MBTL1
SCHEMBL15443962 0.79 BACE1 (0.43) GAAKDM4EGLABACE1CYP1A2
SCHEMBL13193768 0.79 BACE1 (0.53) GAAKDM4EGLABACE1CYP1A2
SCHEMBL70624 0.78 GAA (0.67) GAAKDM4EGLACYP1A2LMNA
SCHEMBL6904018 0.77 KDM4E (0.52) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL19189460 0.76 BACE1 (0.41) GAAKDM4EGLABACE1CYP1A2
SCHEMBL15431078 0.76 BACE1 (0.50) GAAKDM4EGLABACE1CYP1A2
SCHEMBL17277724 0.76 BACE1 (0.50) GAAKDM4EGLABACE1CYP1A2
SCHEMBL13193769 0.76 BACE1 (0.41) GAAKDM4EGLABACE1CYP1A2

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
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