SCHEMBL998657

SCHEMBL998657

COc1ccc(/C=C/C(=O)c2cc3c(cc2OCCN2CCOCC2)OCCS3)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1AN Q9NWT6 9/20 0.51
TUBB1 Q9H4B7 3/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL998658 1.00 HIF1AN (0.51) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL997056 0.93 TUBB1 (0.58) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL997051 0.93 TUBB1 (0.58) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL996176 0.90 TUBB4A (0.59) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL996177 0.90 TUBB4A (0.59) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL998575 0.90 TUBB1 (0.54) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL998577 0.90 TUBB1 (0.54) HIF1ANTUBB1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL997707 0.89 TUBB4A (0.58) HIF1ANTUBB1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL997709 0.89 TUBB4A (0.58) HIF1ANTUBB1TUBB4ATUBBTUBA3C
SCHEMBL997967 0.88 TUBB1 (0.54) 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