SCHEMBL9113593

SCHEMBL9113593

CCOC(OC)Oc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ABCB1 P08183 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A1 P04798 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP1B1 Q16678 5/20 0.55
CYP2D6 P10635 4/20 0.55
TNFRSF1A P19438 1/20 0.53
KRAS P01116 5/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
CYP2C8 P10632 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10969814 0.86 KDM4E (0.61) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2744008 0.85 CYP1A2 (0.52) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10968653 0.81 MAOB (0.55) ALDH1A1KDM4ELMNA
SCHEMBL11796142 0.80 ABCB1 (0.83) MAPTABCB1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11796150 0.80 ABCB1 (0.83) MAPTABCB1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8222180 0.80 MAPT (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9113586 0.78 ABCB1 (0.56) MAPTNPC1RAB9AABCB1ALDH1A1
SCHEMBL9113609 0.78 ABCB1 (0.56) MAPTNPC1RAB9AABCB1ALDH1A1
SCHEMBL10968007 0.76 MAOB (0.46) MAPTABCB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11022078 0.75 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2L3MBTL1

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed