SCHEMBL997089

SCHEMBL997089

COc1ccc(C=CC(=O)c2cc3c(cc2OC)OCCO3)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.62
ABCG2 Q9UNQ0 3/20 0.60
MCL1 Q07820 1/20 0.53
MAPT P10636 5/20 0.52
RAB9A P51151 2/20 0.52
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
LMNA P02545 2/20 0.52

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
SCHEMBL997088 1.00 TUBB1 (0.62) TUBB1ABCG2MCL1MAPTRAB9A
SCHEMBL997226 0.93 ABCG2 (0.69) TUBB1ABCG2MCL1MAPTRAB9A
SCHEMBL997228 0.93 ABCG2 (0.69) TUBB1ABCG2MCL1MAPTRAB9A
SCHEMBL997182 0.86 TUBB1 (0.61) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL996223 0.86 TUBB1 (0.61) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL997183 0.86 TUBB1 (0.61) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL995896 0.86 TUBB1 (0.61) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL997145 0.85 TUBB1 (0.53) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL997144 0.85 TUBB1 (0.53) TUBB1ABCG2MCL1MAPTTUBB4A
SCHEMBL998056 0.84 TUBB4A (0.70) TUBB1ABCG2MAPTRAB9ATUBB4A

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