SCHEMBL17099459

SCHEMBL17099459

COC(=O)CCCC1=CC=CC[CH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MIF P14174 1/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 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
SCHEMBL13838043 0.76 TSHR (0.47) TSHRMIFKMT2AEPHX2MEN1
SCHEMBL12344507 0.70 TSHR (0.32) TSHRKMT2ALMNAALDH1A1MAPT
SCHEMBL1057171 0.68 TSHR (0.43) TSHRKMT2AMEN1L3MBTL1LMNA
SCHEMBL22921868 0.66 TSHR (0.58) TSHRKMT2AEPHX2LMNAALDH1A1
SCHEMBL18626168 0.65 TSHR (0.39) TSHRKMT2AMEN1L3MBTL1LMNA
Water SCHEMBL9652091 0.64 TSHR (0.88) TSHRKMT2AMEN1L3MBTL1GLA
SCHEMBL50039 0.64 TSHR (1.00) TSHRKMT2AMEN1GLALMNA
SCHEMBL27953228 0.64 TSHR (0.88) TSHRKMT2AEPHX2MEN1L3MBTL1
SCHEMBL28238018 0.64 TSHR (1.00) TSHRKMT2AMEN1GLALMNA
SCHEMBL14975 0.64 TSHR (0.88) TSHRKMT2AEPHX2MEN1L3MBTL1

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-2015143353-A1 SYNTHESIS AND INCORPORATION OF GRAPHENE AND/OR METALLIZED OR METAL OXIDE-MODIFIED GRAPHENE TO IMPROVE ORGANIC SOLAR CELLS AND HYDROGEN FUEL CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-09-24 WO disclosed