SCHEMBL7733874

SCHEMBL7733874

CC(C)(C)c1cc(CC(=O)Nc2ccccc2O)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 6/20 0.46
SELL P14151 3/20 0.46
SELP P16109 3/20 0.46
SELE P16581 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
KDM1A O60341 1/20 0.43

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
SCHEMBL7735505 0.88 GAA (0.62) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6973924 0.84 KMT2A (0.47) MAPTHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL8078098 0.80 GAA (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL3661171 0.78 TOP1 (0.57) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL11914171 0.77 NAMPT (0.51) ALDH1A1SMN1; SMN2NPC1GAAKMT2A
SCHEMBL29511368 0.77 HPGD (0.67) HDAC3MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4433540 0.77 HPGD (0.67) HDAC3MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL14586752 0.77 GAA (0.57) MAPTHPGDALDH1A1SMN1; SMN2NFKB1
SCHEMBL6969104 0.77 GAA (0.45) MAPTALDH1A1NFKB1GAASELL
SCHEMBL7735192 0.76 LMNA (0.41) GAASELPSELEKMT2AKDM4E

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed