SCHEMBL5039798

SCHEMBL5039798

CCCCCCC(=O)OC(CC)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.40
PRKCA P17252 4/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
DGKA P23743 1/20 0.38
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
HSP90AA1 P07900 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL6668951 0.80 LMNA (0.51) LMNAMAPTMAPK1ALDH1A1MEN1
SCHEMBL5066357 0.79 LMNA (0.49) LMNAMAPTMAPK1ALDH1A1MEN1
SCHEMBL1184131 0.78 MAPT (0.50) LMNAMAPTALDH1A1PRKCAPRKCE
SCHEMBL14188736 0.77 ALOX5 (0.43) LMNAMAPK1ALDH1A1ALOX5
SCHEMBL19813179 0.74 KDM4E (0.51) LMNAMAPTMAPK1ALDH1A1MEN1
SCHEMBL27988303 0.73 LMNA (0.46) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL17626383 0.71 CHRNB2 (0.41) MAPTMAPK1ALDH1A1ALOX5MEN1
SCHEMBL27918248 0.71 KMT2A (0.48) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL28378709 0.70 LMNA (0.50) LMNAMAPTMAPK1ALDH1A1MEN1
SCHEMBL28191340 0.70 LMNA (0.50) LMNAMAPTMAPK1ALDH1A1MEN1

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-20080154019-A1 Polythiophene derivatives INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-06-26 US disclosed
US-20080154019-A1 Polythiophene derivatives INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-06-26 US disclosed