SCHEMBL7962571

SCHEMBL7962571

COCCOCOc1cccc(CC(=O)O)c1OCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
F2 P00734 1/20 0.40
ELANE P08246 1/20 0.40
PTPN1 P18031 1/20 0.38
PPARG P37231 3/20 0.38
CXCL8 P10145 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
IKBKB O14920 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
CFD P00746 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL8128464 0.88 FABP4 (0.38) FABP4FABP5F2ELANEPTPN1
SCHEMBL7951479 0.83 SMN1; SMN2 (0.50) F2ELANEPTPN1PPARGL3MBTL1
SCHEMBL7959705 0.82 F2 (0.41) FABP4FABP5F2ELANEIKBKB
SCHEMBL8838305 0.80 FABP4 (0.43) FABP4FABP5PPARGL3MBTL1ALDH1A1
SCHEMBL8124909 0.78 PTPN1 (0.59) F2ELANEPTPN1L3MBTL1ALDH1A1
SCHEMBL8125348 0.77 PTPN1 (0.37) F2ELANEPTPN1L3MBTL1IKBKB
SCHEMBL7951484 0.76 FABP4 (0.50) FABP4FABP5F2ELANEPTPN1
SCHEMBL7964642 0.76 F2 (0.41) F2ELANEIKBKB
SCHEMBL7962589 0.76 PTPN1 (0.47) F2ELANEPTPN1L3MBTL1IKBKB
SCHEMBL7962591 0.76 PTPN1 (0.44) F2ELANEPTPN1L3MBTL1IKBKB

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