SCHEMBL996838

SCHEMBL996838

COc1ccc(/C=C/C(=O)c2cc3c(cc2OCCN2CCOCC2)OCS3)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.61
TUBB P07437 2/20 0.61
TUBA3C P0DPH7 2/20 0.61
TUBA1B P68363 2/20 0.61
TUBA4A P68366 2/20 0.61
TUBB4B P68371 2/20 0.61
TUBB3 Q13509 2/20 0.61
TUBB2A Q13885 2/20 0.61
TUBB8 Q3ZCM7 2/20 0.61
TUBA3E Q6PEY2 2/20 0.61
TUBA1A Q71U36 2/20 0.61
TUBA1C Q9BQE3 2/20 0.61
TUBB6 Q9BUF5 2/20 0.61
TUBB2B Q9BVA1 2/20 0.61
TUBB1 Q9H4B7 2/20 0.61
HIF1AN Q9NWT6 11/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KEAP1 Q14145 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
SCHEMBL996840 1.00 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997051 0.93 TUBB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997056 0.93 TUBB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996636 0.92 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996634 0.92 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997045 0.91 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997043 0.91 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL998575 0.89 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL998577 0.89 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL998657 0.86 HIF1AN (0.51) 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