SCHEMBL8423288

SCHEMBL8423288

C=C(C)C(=O)OCC(O)CNCCCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TOP2A P11388 1/20 0.34

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
SCHEMBL16600063 0.94 TSHR (0.51) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL21300657 0.94 TSHR (0.51) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16599972 0.94 TSHR (0.51) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16407297 0.91 TSHR (0.49) TSHRTHRBKDM4EMEN1KMT2A
SCHEMBL22016787 0.87 TSHR (0.45) TSHRTHRBKDM4E
SCHEMBL27054834 0.86 TSHR (0.47) TSHRTHRBKDM4E
SCHEMBL19523486 0.85 TSHR (0.44) TSHRTHRBKDM4E
SCHEMBL5280138 0.84 TSHR (0.49) TSHRTHRBKDM4E
SCHEMBL9706996 0.84 TSHR (0.49) TSHRTHRBKDM4E
SCHEMBL8434514 0.84 TSHR (0.42) TSHRTHRBKDM4EMEN1KMT2A

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
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US claimed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP claimed
US-5858524-A HYDROXYAMINE-CONTAINING ACRYLATE PACKAGING LAMINATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-01-12 US disclosed
EP-0841157-A2 Flexible laminates bonded with water-based laminating ink vehicles and laminating adhesives AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-05-13 EP disclosed