SCHEMBL997823

SCHEMBL997823

CCOc1cc2c(cc1C(=O)/C=C/c1ccc(OC)c(O)c1)OCS2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.69
TUBB4A P04350 3/20 0.69
TUBB P07437 3/20 0.69
TUBA3C P0DPH7 3/20 0.69
TUBA1B P68363 3/20 0.69
TUBA4A P68366 3/20 0.69
TUBB4B P68371 3/20 0.69
TUBB3 Q13509 3/20 0.69
TUBB2A Q13885 3/20 0.69
TUBB8 Q3ZCM7 3/20 0.69
TUBA3E Q6PEY2 3/20 0.69
TUBA1A Q71U36 3/20 0.69
TUBA1C Q9BQE3 3/20 0.69
TUBB6 Q9BUF5 3/20 0.69
TUBB2B Q9BVA1 3/20 0.69
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4A P27815 1/20 0.48

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
SCHEMBL997827 1.00 TUBB1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997438 0.93 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997437 0.93 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997853 0.92 TUBB1 (0.77) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997851 0.92 TUBB1 (0.77) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997702 0.90 TUBB1 (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997704 0.90 TUBB1 (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997196 0.89 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL997197 0.89 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL998034 0.88 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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