SCHEMBL7735664

SCHEMBL7735664

CC(C)(C)c1cc(CCc2nc3ccccc3o2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRK6 P43250 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 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
SCHEMBL7735172 0.88 SMN1; SMN2 (0.59) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL7735683 0.78 PTGS1 (0.42) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL155002 0.76 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10786285 0.75 ESR1 (0.54) MAPTRAB9ANPC1SMN1; SMN2TP53
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.75 MAPT (0.81) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9855739 0.73 GAA (0.57) MAPTSMN1; SMN2TP53HTTLMNA
SCHEMBL284696 0.72 ALDH1A1 (0.63) MAPTSMN1; SMN2TP53HTTLMNA
SCHEMBL7735679 0.71 MEN1 (0.51) MAPTRAB9ANPC1SMN1; SMN2HTT
Water SCHEMBL8834363 0.71 DDAH1 (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2123399 0.70 MAPT (0.78) MAPTRAB9ANPC1SMN1; 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 1 patent. 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