SCHEMBL7145839

SCHEMBL7145839

CC(C)(C)OC(=O)N1CCC(CC#CCOC2CCCCO2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 7/20 0.39
FAAH O00519 1/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL28974733 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL1736326 0.78 RECQL (0.47) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL6616011 0.78 ASGR1 (0.32) MEN1KMT2A
SCHEMBL1186866 0.78 KDM4E (0.50) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL23249978 0.77 RECQL (0.47) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL6449345 0.76 RECQL (0.42) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL7144981 0.76 GPR119 (0.47) RECQLEPHX1HPGDKDM4EPKM
SCHEMBL13597261 0.76 HPGD (0.49) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL9311558 0.75 RECQL (0.50) RECQLEPHX1HPGDUSP2SMN1; SMN2
SCHEMBL22973125 0.74 RECQL (0.44) RECQLEPHX1HPGDUSP2SMN1; SMN2

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
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed