SCHEMBL4034077

SCHEMBL4034077

Cc1noc(-c2cccc(F)c2)c1N(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HSP90AA1 P07900 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
SCD5 Q86SK9 1/20 0.39
BRD4 O60885 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TACR3 P29371 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL4027903 0.89 HTT (0.45) LPAR1LPAR3BRD4BRD2CREBBP
SCHEMBL4029114 0.89 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4033561 0.88 LPAR1 (0.42) LPAR1LPAR3TRPM8MEN1KMT2A
SCHEMBL4030964 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4030912 0.87 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4034366 0.83 AKR1C3 (0.43) LPAR1LPAR3MEN1KMT2AHTT
SCHEMBL4028121 0.83 LPAR1 (0.44) HSP90AA1LPAR1LPAR3MEN1KMT2A
SCHEMBL4031584 0.82 LPAR1 (0.43) LPAR1LPAR3MEN1KMT2AHTT
SCHEMBL4030969 0.81 LPAR1 (0.38) HDAC6LPAR1LPAR3MEN1KMT2A
SCHEMBL15437361 0.81 RORC (0.38) LPAR1LPAR3BRD4MEN1KMT2A

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed