SCHEMBL7990573

SCHEMBL7990573

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1cccc(OCc2ccccc2)c1)[C@@H](COCc1ccccc1)OCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 5/20 0.48
FFAR1 O14842 1/20 0.47
NR4A2 P43354 1/20 0.47
MAOB P27338 5/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 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
SCHEMBL7508688 0.90 MEN1 (0.47) CYP4F2CYP4A11BCHENR4A2MAOB
SCHEMBL7456407 0.87 LMNA (0.51) BCHEFFAR1NR4A2MAOBGAA
SCHEMBL5742123 0.85 CA1 (0.56) KMT2ACA1CA2CA7CA9
SCHEMBL7975427 0.85 CA1 (0.46) KMT2ACA1CA2CA7CA9
SCHEMBL7456130 0.84 KMT2A (0.43) NR4A2MAOBKMT2AMEN1ALDH1A1
SCHEMBL7511171 0.84 KMT2A (0.43) NR4A2MAOBKMT2AMEN1ALDH1A1
SCHEMBL7986844 0.82 MAN2A1 (0.46) NR4A2MAOBKDM4EMAPTCA1
SCHEMBL7989295 0.82 CASR (0.52) MAOBCA1CA2CA7CA9
SCHEMBL7975882 0.82 MAN2A1 (0.46) NR4A2MAOBKDM4EMAPTCA1
SCHEMBL7976176 0.82 MEN1 (0.49) NR4A2MAOBKMT2AMEN1ALDH1A1

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed