SCHEMBL8942679

SCHEMBL8942679

CC(C)(C)c1ccc(Oc2cccc(C(=O)N(O)CCNC(N)=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C9 P11712 1/20 0.46
FABP1 P07148 1/20 0.42
TNKS O95271 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 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
SCHEMBL8942429 0.88 PARP10 (0.45) HPGDTNKSPARP15PARP14PARP10
SCHEMBL8942712 0.86 PARP14 (0.45) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL8782866 0.85 MEN1 (0.51) MAPTHPGDRECQLNPSR1NPC1
SCHEMBL8942507 0.84 KDM4E (0.43) MAPTPOLBNR4A2
SCHEMBL8942661 0.83 KMO (0.53) NPSR1TNKSPARP15PARP14PARP10
SCHEMBL8942753 0.82 PARP1 (0.52) MAPTHPGDNPC1RAB9AMEN1
SCHEMBL8942408 0.81 TNKS (0.39) MAPTNPSR1NPC1RAB9ATNKS
SCHEMBL8942402 0.80 EPOR (0.46) MAPTNPC1TNKSPARP15PARP14
SCHEMBL8942585 0.80 MEN1 (0.42) NPC1RAB9APARP10MEN1KMT2A
SCHEMBL8942484 0.79 PARP10 (0.50) HPGDNPC1POLBRAB9APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed