SCHEMBL4537314

SCHEMBL4537314

O=C(NCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
F10 P00742 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.41
ADRB2 P07550 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
USP30 Q70CQ3 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL4537385 0.96 KMT2A (0.43) POLBKMT2AF10EPHX2ALDH1A1
SCHEMBL4537039 0.91 EPHX2 (0.47) HTTKMT2AEPHX2ALDH1A1MEN1
SCHEMBL4538131 0.88 HDAC3 (0.46) POLBKMT2AEPHX2ALDH1A1
SCHEMBL4535088 0.87 USP30 (0.47) POLBTSHRHTTNPSR1KMT2A
SCHEMBL4541028 0.86 MEN1 (0.52) POLBHTTNPSR1KMT2AALDH1A1
SCHEMBL4539370 0.85 KMT2A (0.48) POLBHTTKMT2AALDH1A1L3MBTL1
SCHEMBL4539756 0.84 HDAC3 (0.50) KMT2AEPHX2ALDH1A1
SCHEMBL4531620 0.83 HSD11B1 (0.58) KMT2AEPHX2ALDH1A1MEN1
SCHEMBL4537312 0.83 P2RX7 (0.43) POLBTSHRHTTNPSR1KMT2A
SCHEMBL4535939 0.83 USP30 (0.48) KMT2AEPHX2ALDH1A1L3MBTL1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed