SCHEMBL7735172

SCHEMBL7735172

CC(C)(C)c1cc(Cc2nc3ccccc3o2)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 4/20 0.59
TP53 P04637 3/20 0.59
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.43
SLC5A2 P31639 1/20 0.43
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 2/20 0.41
DHFR P00374 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7735664 0.88 MAPT (0.58) SMN1; SMN2LMNATP53RAB9AMAPT
SCHEMBL6969232 0.81 DHFR (0.39) SMN1; SMN2LMNATP53MAPTKMT2A
SCHEMBL7735683 0.79 PTGS1 (0.42) SMN1; SMN2LMNATP53RAB9AMAPT
SCHEMBL10786285 0.76 ESR1 (0.54) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL7724844 0.75 TOP2A (0.47) SMN1; SMN2LMNARAB9AMAPTNPC1
SCHEMBL4688937 0.75 SMN1; SMN2 (0.83) SMN1; SMN2LMNATP53RAB9AMAPT
Water SCHEMBL8834363 0.74 DDAH1 (0.56) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL4650036 0.74 TP53 (0.89) SMN1; SMN2LMNATP53RAB9AMAPT
SCHEMBL1420033 0.74 TP53 (0.81) SMN1; SMN2LMNATP53RAB9AMAPT
SCHEMBL1906504 0.72 TP53 (0.83) SMN1; SMN2LMNATP53RAB9AMAPT

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