SCHEMBL7735683

SCHEMBL7735683

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
ALOX5 P09917 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7735679 0.80 MEN1 (0.51) PTGS1PTGS2ALOX5RAB9AMAPT
SCHEMBL7735172 0.79 SMN1; SMN2 (0.59) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL7735664 0.78 MAPT (0.58) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL10786285 0.71 ESR1 (0.54) PTGS1PTGS2RAB9AMAPTNPC1
Benzene SCHEMBL27590057 0.70 NPC1 (0.58) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL11229435 0.68 TNFRSF1A (0.55) PTGS1PTGS2ALOX5MAPTSMN1; SMN2
SCHEMBL10589899 0.68 TNFRSF1A (0.55) PTGS1PTGS2ALOX5MAPTSMN1; SMN2
SCHEMBL10851833 0.68 BRD4 (0.43) PTGS2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL10851835 0.68 BRD4 (0.43) PTGS2RAB9AMAPTNPC1SMN1; SMN2
Water SCHEMBL8834363 0.68 DDAH1 (0.56) RAB9AMAPTNPC1SMN1; SMN2TP53

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