SCHEMBL8115248

SCHEMBL8115248

CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)no1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP30 Q70CQ3 3/20 0.42
LMNA P02545 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
HCRTR2 O43614 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
SCHEMBL8120241 1.00 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8114296 0.84 CHRNB2 (0.56) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8121446 0.84 CHRNB2 (0.56) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL9264718 0.83 SCD5 (0.49) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL9264284 0.82 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8139425 0.82 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8121245 0.82 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL9254476 0.81 CHRNB2 (0.51) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8104991 0.81 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL21163196 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AL3MBTL1

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