SCHEMBL4641652

SCHEMBL4641652

O=C(O)C=Cc1nc(C=CC(=O)O)nc(C=CC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HCAR2 Q8TDS4 5/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 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
SCHEMBL1368017 0.74 HCAR2 (0.48) TSHRHCAR2HDAC3HDAC4HDAC1
SCHEMBL1368018 0.74 HCAR2 (0.48) TSHRHCAR2HDAC3HDAC4HDAC1
Maleic Acid SCHEMBL1208678 0.69
Fumaric Acid SCHEMBL144529 0.69
Fumaric Acid SCHEMBL144528 0.69
Fumaric Acid SCHEMBL28495094 0.69 TSHR (0.90) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL28010119 0.66 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL27558805 0.66 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL615 0.65
Fumaric Acid SCHEMBL2046433 0.65 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2

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-1954748-B1 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM ASHLAND LICENSING & IP LLC (US) 2018-09-26 EP disclosed
US-8741978-B2 Prepregs and cured in place solid surfaces prepared therefrom ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2014-06-03 US disclosed
EP-1954748-A2 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM Ashland Licensing and Intellectual Property LLC (US) 2008-08-13 EP disclosed
US-20070225443-A1 Prepregs and cured in place solid surfaces prepared therefrom ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-09-27 US disclosed
WO-2007064688-A2 PREPREGS AND CURED IN PLACE SOLID SURFACES PREPARED THEREFROM ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2007-06-07 WO disclosed