SCHEMBL7327712

SCHEMBL7327712

CC(C)(C)OC(=O)NC1Cc2ccccc2C1Cc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.43
EPHX2 P34913 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
NPY5R Q15761 5/20 0.39
DRD2 P14416 2/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.38
AKT1 P31749 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP17A1 P05093 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL7328072 1.00 PPARA (0.46) PPARAKMT2AL3MBTL1PPARGEPHX2
SCHEMBL7335350 1.00 PPARA (0.46) PPARAKMT2AL3MBTL1PPARGEPHX2
SCHEMBL8652209 0.95 KMT2A (0.46) PPARAKMT2AL3MBTL1EPHX2CA12
SCHEMBL7329129 0.95 KMT2A (0.46) PPARAKMT2AL3MBTL1EPHX2CA12
SCHEMBL8651847 0.89 NPY5R (0.40) KMT2AL3MBTL1PPARGEPHX2CA12
SCHEMBL7396204 0.89 NPY5R (0.40) KMT2AL3MBTL1PPARGEPHX2CA12
SCHEMBL8651226 0.89 KMT2A (0.46) PPARAKMT2AL3MBTL1PPARGEPHX2
SCHEMBL7328812 0.89 KMT2A (0.46) PPARAKMT2AL3MBTL1PPARGEPHX2
SCHEMBL8650717 0.89 NPC1 (0.41) PPARAKMT2AL3MBTL1PPARGEPHX2
SCHEMBL7337139 0.89 NPC1 (0.41) PPARAKMT2AL3MBTL1PPARGEPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711271-B1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-07 EP disclosed
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed