SCHEMBL997901

SCHEMBL997901

COc1ccc(C=CC(=O)c2cc3c(cc2OC)OCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
KDM4E B2RXH2 1/20 0.76
GAA P10253 1/20 0.76
PKM P14618 1/20 0.76
ABCG2 Q9UNQ0 7/20 0.70
TUBB4A P04350 2/20 0.70
TUBB P07437 2/20 0.70
TUBA3C P0DPH7 2/20 0.70
TUBA1B P68363 2/20 0.70
TUBA4A P68366 2/20 0.70
TUBB4B P68371 2/20 0.70
TUBB3 Q13509 2/20 0.70
TUBB2A Q13885 2/20 0.70
TUBB8 Q3ZCM7 2/20 0.70
TUBA3E Q6PEY2 2/20 0.70

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
SCHEMBL997900 1.00 MAPT (0.76) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998056 0.93 TUBB4A (0.70) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998057 0.93 TUBB4A (0.70) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998186 0.89 ABCG2 (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998188 0.89 ABCG2 (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998480 0.89 ABCG2 (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL998483 0.89 ABCG2 (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL22230081 0.86 MAPT (1.00) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL22230080 0.86 MAPT (1.00) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL997226 0.84 ABCG2 (0.69) MAPTMEN1KMT2ANPC1RAB9A

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-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO claimed
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed