SCHEMBL9856468

SCHEMBL9856468

CCCC(C)Oc1ccc(OCCNC(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ACACB O00763 1/20 0.46
KMT2A Q03164 6/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 4/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10394911 0.93 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL9856365 0.90 L3MBTL1 (0.50) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL10794873 0.88 SLC6A2 (0.50) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL10795135 0.84 CHRNB2 (0.44) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL9856673 0.83 MAPT (0.49) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL10895637 0.81 ALDH1A1 (0.72) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL9856275 0.81 L3MBTL1 (0.47) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL11886540 0.81 NPC1 (0.65) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL10394215 0.80 L3MBTL1 (0.46) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL9856035 0.79 L3MBTL1 (0.59) MAPK1SMN1; SMN2L3MBTL1MAPTALDH1A1

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