SCHEMBL9543178

SCHEMBL9543178

CC1C/C(=C/c2ccccc2O)C(=O)/C(=C/c2ccccc2O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MIF P14174 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
XBP1 P17861 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOD2 Q9HC29 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL28096067 0.80 DYRK2 (0.63) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL17899525 0.78 MEN1 (0.66) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL14571667 0.78 DYRK1A (0.51) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL5584115 0.78 DYRK1A (0.51) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL3581744 0.77 MIF (0.64) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL17691388 0.77 MIF (0.64) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL3581740 0.77 MIF (0.64) MAPTMEN1KMT2AMIFALDH1A1
SCHEMBL17691411 0.77 IKBKB (0.64) MEN1KMT2AMIFALDH1A1NPSR1
SCHEMBL3583600 0.77 MIF (0.53) MAPTMEN1KMT2AMIFNPC1
SCHEMBL3583598 0.77 MIF (0.53) MAPTMEN1KMT2AMIFNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO claimed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO disclosed