SCHEMBL7962776

SCHEMBL7962776

COCCOCOc1ccc(C(O)C(=O)O)c(Cl)c1OCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
RARG P13631 10/20 0.37
RARA P10276 2/20 0.35
RARB P10826 1/20 0.35
IKBKB O14920 3/20 0.35
CLCN2 P51788 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7951484 0.82 FABP4 (0.50) FABP4FABP5F2ELANERARG
SCHEMBL7962775 0.79 F2 (0.49) F2ELANERARGRARARARB
SCHEMBL7962058 0.78 RARG (0.34) FABP4FABP5F2ELANERARG
SCHEMBL7959705 0.78 F2 (0.41) FABP4FABP5F2ELANERARG
SCHEMBL7962553 0.78 RARG (0.36) F2ELANERARGRARARARB
SCHEMBL8127905 0.77 PTPN1 (0.44) F2ELANERARGRARARARB
SCHEMBL7962067 0.77 RARG (0.40) F2ELANERARGRARARARB
SCHEMBL8134415 0.76 RARG (0.35) F2ELANERARGRARARARB
SCHEMBL7962550 0.75 PTPN1 (0.36) F2ELANERARGRARARARB
SCHEMBL8677374 0.74 MAPT (0.40) FABP4FABP5BLMNPSR1

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