SCHEMBL7962968

SCHEMBL7962968

COCCOCOc1cc(OOC(C)=O)cc(C#N)c1OCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
STING1 Q86WV6 1/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTNNB1 P35222 1/20 0.34
XDH P47989 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL8119631 0.88 STING1 (0.44) HPGDSTING1F2ELANECTNNB1
SCHEMBL7962513 0.85 HPGD (0.49) HPGDF2ELANEXDHNPC1
SCHEMBL7961481 0.83 RARG (0.38) STING1F2ELANECTNNB1PTPN1
SCHEMBL7962974 0.82 HPGD (0.36) HPGDSTING1F2ELANECTNNB1
SCHEMBL8134797 0.78 HPGD (0.36) HPGDF2ELANEXDHAR
SCHEMBL7962583 0.77 HPGD (0.44) HPGDF2ELANEXDHALDH1A1
SCHEMBL7962519 0.75 HPGD (0.38) HPGDF2ELANEXDHAR
SCHEMBL8126526 0.75 HPGD (0.38) HPGDF2ELANEXDHAR
SCHEMBL7951509 0.75 FDPS (0.38) HPGDXDHARALDH1A1MAPT
SCHEMBL7962589 0.72 PTPN1 (0.47) HPGDSTING1F2ELANECTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed