SCHEMBL9256016

SCHEMBL9256016

CCCOC(OCCc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
PTGES O14684 3/20 0.41
ALOX5 P09917 3/20 0.41
PPARG P37231 3/20 0.41
CTSK P43235 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31269816 0.82 KMT2A (0.55) LMNAKMT2ATDP1NPC1RAB9A
SCHEMBL8668873 0.79 PPARG (0.46) LMNAPTGESALOX5PPARGTDP1
SCHEMBL9667408 0.78 PPARG (0.56) LMNAPTGESALOX5PPARGCTSK
SCHEMBL531070 0.76 CA1 (0.39) PTGESALOX5PPARGCTSKNPC1
SCHEMBL9256023 0.76 LMNA (0.38) LMNAKMT2AALOX5SMN1; SMN2MAPK1
SCHEMBL16673082 0.75 LMNA (0.47) LMNAKMT2APTGESALOX5PPARG
SCHEMBL4447170 0.75 SMN1; SMN2 (0.60) LMNAKMT2APPARGNPC1RAB9A
SCHEMBL6322871 0.74 CTSK (0.46) PTGESALOX5PPARGCTSKTDP1
SCHEMBL5038179 0.74 SLC1A3 (0.49) LMNAKMT2APPARGTDP1ALDH1A1
SCHEMBL4561509 0.74 EPHX1 (0.49) LMNAKMT2APTGESALOX5TDP1

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
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP disclosed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO disclosed