SCHEMBL7962589

SCHEMBL7962589

COCCOCOc1cccc(OOC(C)=O)c1OCOCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTNNB1 P35222 1/20 0.36
STING1 Q86WV6 1/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
RARG P13631 3/20 0.33
RARA P10276 2/20 0.33
HPGD P15428 2/20 0.33
RARB P10826 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8124909 0.86 PTPN1 (0.59) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7962550 0.84 PTPN1 (0.36) PTPN1CTNNB1F2ELANERARG
SCHEMBL7951479 0.81 SMN1; SMN2 (0.50) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7962591 0.78 PTPN1 (0.44) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL8125348 0.77 PTPN1 (0.37) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10971500 0.76 SMN1; SMN2 (0.60) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7962571 0.76 FABP4 (0.50) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7961481 0.75 RARG (0.38) PTPN1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL8128464 0.75 FABP4 (0.38) PTPN1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7951484 0.74 FABP4 (0.50) PTPN1LMNAALDH1A1KDM4EMAPT

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