SCHEMBL8203874

SCHEMBL8203874

CC(C)c1ccc(CNNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.41
ESRRG P62508 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
APLNR P35414 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL12270350 0.85 GAA (0.53) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL4025879 0.85 GAA (0.68) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6445761 0.84 ESRRG (0.55) GAAL3MBTL1CA12CA1CA7
SCHEMBL9971059 0.83 GAA (0.51) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL6236607 0.83 GAA (0.51) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL1668799 0.82 GAA (0.50) GAASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13903558 0.82 ESRRG (0.60) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL4632779 0.81 CA12 (0.60) RAB9ANPC1GAAALDH1A1MEN1
SCHEMBL2493016 0.81 NPC1 (0.49) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL4092012 0.79 GAA (0.48) RAB9ANPC1GAAALDH1A1SMN1; 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
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed