SCHEMBL996172

SCHEMBL996172

COc1cc2c(cc1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)SCO2

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
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
TNFRSF1A P19438 2/20 0.53
APP P05067 1/20 0.49

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
SCHEMBL996173 1.00 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997006 0.93 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL997003 0.93 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL999752 0.91 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL999755 0.91 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996599 0.89 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996596 0.89 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996115 0.88 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996116 0.88 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL995922 0.87 TUBB4A (0.67) 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