SCHEMBL7986714

SCHEMBL7986714

Cc1ccc(S(=O)(=O)O)cc1CCCCCN(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
STAT5B P51692 1/20 0.39
LPAR1 Q92633 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
LTB4R Q15722 2/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7972044 1.00 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2CRHBP
SCHEMBL7972042 0.84 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2STAT5B
SCHEMBL6519209 0.81 METAP2 (0.37) STAT5BL3MBTL1CA12CA1CA2
SCHEMBL16684875 0.79 KMT2A (0.44) CRHBPCRHR2L3MBTL1LTB4RKMT2A
SCHEMBL8525848 0.79 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL6130696 0.77 CA12 (0.32) L3MBTL1CA12CA1CA2
SCHEMBL8021840 0.77 HDAC3 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL8021179 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL8240094 0.77 S1PR3 (0.40) HDAC1HDAC3HDAC2NCOR2STAT5B
SCHEMBL7973240 0.75 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 WO disclosed