SCHEMBL4539701

SCHEMBL4539701

O=C(CC1CCCN(S(=O)(=O)c2ccccc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CCR1 P32246 2/20 0.46
HSD11B1 P28845 2/20 0.46
EPHX1 P07099 4/20 0.45
EPHX2 P34913 2/20 0.43
FAAH O00519 2/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL8070996 0.95 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4535493 0.95 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4540405 0.91 HSD11B1 (0.56) HSD11B1EPHX1EPHX2
SCHEMBL4539839 0.90 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4537389 0.89 HTT (0.46) CCR1EPHX1EPHX2POLBLMNA
SCHEMBL4537439 0.89 EPHX2 (0.48) HSD11B1EPHX1EPHX2LMNAPSMB5
SCHEMBL8065460 0.87 EPHX1 (0.56) CCR1EPHX1EPHX2
SCHEMBL4539882 0.87 EPHX1 (0.56) CCR1EPHX1EPHX2
SCHEMBL4537427 0.86 SMN1; SMN2 (0.52) EPHX1EPHX2LMNATSHRALOX12
SCHEMBL4536856 0.86 KMT2A (0.44) EPHX1LMNAL3MBTL1PSMB5NPC1

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