SCHEMBL27816181

SCHEMBL27816181

O=c1cc(-c2ccccc2)oc2ccc(OCCl)cc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ ABCB1 P08183 1/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69
▸ SIGMAR1 Q99720 13/20 0.68
▸ STS P08842 1/20 0.63
▸ PLA2G2A P14555 1/20 0.62
▸ PLA2G4A P47712 1/20 0.62
▸ TNKS O95271 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62

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
SCHEMBL8786926 0.88 SIGMAR1 (0.78) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8786565 0.87 SIGMAR1 (0.80) SIGMAR1
SCHEMBL28632889 0.86 ABCB1 (0.73) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL27835584 0.86 SIGMAR1 (0.76) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL7605927 0.86 MAPT (0.73) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28647889 0.84 SIGMAR1 (0.78) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28646380 0.83 ABCB1 (0.68) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8786494 0.82 SIGMAR1 (0.77) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL27835673 0.82 MAPT (0.64) MAPTKDM4ENPC1ALDH1A1RAB9A
6-Methoxyflavone SCHEMBL28930176 0.82 ABCB1 (1.00) MAPTKDM4ENPC1ALDH1A1RAB9A

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
CN-101143861-B B ring 4'-single substituted flavone compounds, preparation method and use SHANGHAI INST MATERIA MEDICA 2011-08-03 — — CN disclosed
Send feedback