SCHEMBL8105531

SCHEMBL8105531

Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)sn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL8121502 1.00 ALDH1A1 (0.45) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL18406191 0.77 LMNA (0.51) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL30148110 0.76 ALDH1A1 (0.46) ALDH1A1NPSR1LMNAL3MBTL1TSHR
SCHEMBL2139057 0.76 HSD17B10 (0.44) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL19777235 0.75 ALDH1A1 (0.45) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL8121446 0.75 CHRNB2 (0.56) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL17069024 0.75 EPHX2 (0.53) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL16482378 0.75 ALDH1A1 (0.45) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL8114296 0.75 CHRNB2 (0.56) ALDH1A1NPSR1LMNAL3MBTL1MAPT
SCHEMBL17069033 0.74 ALDH1A1 (0.49) ALDH1A1NPSR1LMNAL3MBTL1MAPT

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-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 EP disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed