SCHEMBL997204

SCHEMBL997204

COc1cc(OC)c(C=CC(=O)c2cc3c(cc2OC)SCO3)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.74
TUBB P07437 2/20 0.74
TUBA3C P0DPH7 2/20 0.74
TUBA1B P68363 2/20 0.74
TUBA4A P68366 2/20 0.74
TUBB4B P68371 2/20 0.74
TUBB3 Q13509 2/20 0.74
TUBB2A Q13885 2/20 0.74
TUBB8 Q3ZCM7 2/20 0.74
TUBA3E Q6PEY2 2/20 0.74
TUBA1A Q71U36 2/20 0.74
TUBA1C Q9BQE3 2/20 0.74
TUBB6 Q9BUF5 2/20 0.74
TUBB2B Q9BVA1 2/20 0.74
TUBB1 Q9H4B7 2/20 0.74
ABCG2 Q9UNQ0 7/20 0.51
CHRNA7 P36544 1/20 0.49
MAOA P21397 2/20 0.46
AURKA O14965 1/20 0.45
MAPT P10636 3/20 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
SCHEMBL997200 1.00 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997679 0.95 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997676 0.95 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996480 0.90 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996477 0.90 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL995897 0.90 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL995899 0.90 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996475 0.89 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996476 0.89 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996211 0.87 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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