SCHEMBL6697451

SCHEMBL6697451

CCc1ccc(C=Cc2ccccc2)c(OC(C)=O)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
TUBB1 Q9H4B7 3/20 0.43
CHAT P28329 1/20 0.42
NPC1 O15118 5/20 0.41
MEN1 O00255 4/20 0.41
RAB9A P51151 4/20 0.41

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
SCHEMBL5528076 0.78 CHAT (0.51) CHATNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1812626 0.77 NFE2L2 (0.49) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1286086 0.77 CHAT (0.48) KMT2ACHATNPC1MEN1L3MBTL1
SCHEMBL28972682 0.75 CHAT (0.43) KMT2ACHATNPC1RAB9AL3MBTL1
SCHEMBL1603616 0.74 NFE2L2 (0.60) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10775718 0.74 CHAT (0.48) CHATNPC1MAPK1L3MBTL1KDM4E
SCHEMBL12095298 0.73 NFE2L2 (0.48) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3314632 0.71 CHAT (0.51) CHATNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6546138 0.71 CHAT (0.51) CHATNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL716755 0.71 KMT2A (0.71) KMT2ATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed