SCHEMBL9788905

SCHEMBL9788905

NC(CC=O)CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NR4A2 P43354 1/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 6/20 0.44
GSK3B P49841 2/20 0.44
PTPN1 P18031 2/20 0.44
TRPA1 O75762 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 6/20 0.44

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
SCHEMBL28248877 0.82 TSHR (0.34) TSHRKMT2AMEN1
SCHEMBL814384 0.79 ATM (0.58) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL809740 0.79 ATM (0.58) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL9206692 0.79 TSHR (0.59) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL6744065 0.79 TSHR (0.59) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL6901686 0.79 TSHR (0.59) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL8943149 0.78 HDAC3 (0.51) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL10517046 0.78 TSHR (0.63) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL6425252 0.76 TSHR (0.61) TSHRNR4A2MAPTKMT2ASMN1; SMN2
SCHEMBL24228724 0.75 TSHR (0.46) TSHRNR4A2MAPTKMT2ASMN1; SMN2

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
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed