SCHEMBL6962886

SCHEMBL6962886

COc1ccc2sc(C=CCO)c(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40

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
SCHEMBL6962880 1.00 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6963324 0.78 ALDH1A1 (0.45) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL6963319 0.78 ALDH1A1 (0.45) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL6958908 0.78 ALDH1A1 (0.49) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL4654108 0.77 MEN1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4654112 0.77 MEN1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6958376 0.76 CYP17A1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6958368 0.76 CYP17A1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6952094 0.76 CYP19A1 (0.46) ATMMEN1KMT2ATP53
SCHEMBL6952102 0.76 CYP19A1 (0.46) ATMMEN1KMT2ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed