SCHEMBL8335155

SCHEMBL8335155

C=C(CCCCC)C(=O)O.N#CC=CC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HDAC3 O15379 3/20 0.40
EGFR P00533 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL9067801 0.96 HDAC3 (0.40) LMNATDP1HDAC3EGFRTUBB4A
SCHEMBL182733 0.96 HDAC3 (0.40) LMNATDP1HDAC3EGFRTUBB4A
Ethylene SCHEMBL28301426 0.95 HDAC3 (0.40) LMNATDP1HDAC3EGFRTUBB4A
SCHEMBL6734704 0.89 MCL1 (0.37) LMNAHDAC3KDM4EKMT2AMCL1
SCHEMBL1765980 0.86 MCL1 (0.40) LMNATDP1HDAC3KDM4EKMT2A
SCHEMBL29471809 0.86 HDAC3 (0.48) LMNATDP1HDAC3EGFRTUBB4A
SCHEMBL1140851 0.82 MCL1 (0.38) LMNAHDAC3KDM4EKMT2AMCL1
SCHEMBL18171946 0.81 CYP3A4 (0.40) LMNATDP1HDAC3EGFRKDM4E
Itaconate SCHEMBL8677282 0.81 HDAC3 (0.42) LMNAHDAC3KDM4EMEN1KMT2A
SCHEMBL11422912 0.80 LMNA (0.50) LMNATDP1HDAC3EGFRTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853585-A4 CARTON HAVING BUCKLE-CONTROLLED BRIM CURL AND METHOD AND BLANK FOR FORMING THE SAME FORT JAMES CORP (US) 1999-09-08 EP disclosed
US-5868309-A PAPERBOARD CONTAINER, STYRENE-ACRYLIC DERIVATIVE LATEX COATING; DEFECT-FREE BRIM CURL FORT JAMES CORPORATION (US) 1999-02-09 US disclosed
EP-0853585-A1 CARTON HAVING BUCKLE-CONTROLLED BRIM CURL AND METHOD AND BLANK FOR FORMING THE SAME Fort James Corporation (US) 1998-07-22 EP disclosed
WO-1997005024-A9 CARTON HAVING BUCKLE-CONTROLLED BRIM CURL AND METHOD AND BLANK FOR FORMING THE SAME 1997-04-17 WO disclosed
WO-1997005024-A1 CARTON HAVING BUCKLE-CONTROLLED BRIM CURL AND METHOD AND BLANK FOR FORMING THE SAME JAMES RIVER CORPORATION OF VIRGINIA (US) 1997-02-13 WO disclosed