SCHEMBL6609940

SCHEMBL6609940

[CH2]OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.53
EPHX1 P07099 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR119 Q8TDV5 8/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4574297 0.91 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL3142454 0.91 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2770208 0.84 GPR119 (0.61) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL11966009 0.84 HPGD (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL85477 0.84 HPGD (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL24765156 0.84 HPGD (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22549822 0.82 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL17226221 0.82 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL23373205 0.82 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6937576 0.82 EPHX1 (0.56) HPGDRECQLEPHX1USP2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed