SCHEMBL5771402

SCHEMBL5771402

COc1ccc(-c2coc3c(C)c(C)c(O)cc23)cc1.Cc1c(O)cc2c(-c3ccc(Cl)cc3)coc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
MAPT P10636 8/20 0.45
CYP3A4 P08684 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RAB9A P51151 3/20 0.44
KLK7 P49862 1/20 0.44
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL5768940 0.94 ABCB1 (0.51) ABCB1MAPTCYP3A4ALDH1A1MAPK1
SCHEMBL5772347 0.91 POLB (0.50) ALDH1A1MEN1KMT2ATP53POLB
SCHEMBL5772968 0.77 POLB (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5771774 0.77 ALOX15 (0.47) CYP3A4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2070701 0.72 ALDH1A1 (0.69) ABCB1MAPTCYP3A4ALDH1A1MAPK1
SCHEMBL5898903 0.72 MAPT (0.57) ABCB1MAPTCYP3A4ALDH1A1MAPK1
SCHEMBL4745653 0.72 PIN1 (0.73) MAPTCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL5310100 0.69 XDH (0.50) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL28750722 0.69 ALOX15 (0.60) MAPTCYP3A4ALDH1A1MAPK1MEN1
SCHEMBL5139795 0.69 ALOX15 (0.75) ALDH1A1MEN1KMT2ATP53POLB

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-2005027900-A1 BENZOFURAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed