SCHEMBL9856511

SCHEMBL9856511

CCOC(=O)NCCOc1ccc(SC(C)CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.43
ACACB O00763 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9856458 0.85 MTNR1A (0.43) MAPTKMT2AMAPK1SMN1; SMN2NPC1
SCHEMBL9856226 0.85 MTNR1A (0.44) L3MBTL1KMT2AGLAMAPK1SMN1; SMN2
SCHEMBL9856104 0.84 LMNA (0.40) L3MBTL1MAPTKMT2AGLAMAPK1
SCHEMBL9856462 0.81 USP2 (0.40) L3MBTL1KMT2AMAPK1SMN1; SMN2NPC1
SCHEMBL10795232 0.81 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AGLAMAPK1
SCHEMBL9856365 0.81 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AGLAMAPK1
SCHEMBL10394601 0.80 MTNR1A (0.46) KMT2AGLASMN1; SMN2MTNR1AMTNR1B
SCHEMBL11886540 0.80 NPC1 (0.65) L3MBTL1MAPTKMT2AGLAMAPK1
SCHEMBL11308868 0.80 L3MBTL1 (0.58) L3MBTL1MAPTKMT2AGLASMN1; SMN2
SCHEMBL10394254 0.80 MTNR1A (0.38) L3MBTL1MAPTKMT2AMAPK1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US claimed
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed