SCHEMBL4537103

SCHEMBL4537103

O=C(NCC1CCN(C(=O)NC2CCCCC2)C1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 4/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4539572 0.93 KDM4E (0.53) KDM4EEPHX1HTTMEN1KMT2A
SCHEMBL4535571 0.81 LMNA (0.40) HTTMEN1KMT2ALMNAPKM
SCHEMBL4537217 0.81 BRD4 (0.55) KDM4EEPHX1HTTGAALMNA
SCHEMBL4539333 0.80 KMT2A (0.56) EPHX1MEN1KMT2AGAALMNA
SCHEMBL4541042 0.78 FAAH (0.53) KDM4EMEN1KMT2AGAAHSD17B10
SCHEMBL4542442 0.76 BRD4 (0.44) KDM4EEPHX1KMT2ALMNAPOLB
SCHEMBL4531024 0.76 MEN1 (0.55) KDM4EHTTMEN1KMT2AGAA
SCHEMBL4542474 0.76 USP30 (0.58) KDM4EHTTMEN1KMT2ALMNA
SCHEMBL4540424 0.75 ALDH1A1 (0.42) EPHX1ALDH1A1MAPT
SCHEMBL4537100 0.75 EPHX1 (0.62) KDM4EEPHX1

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