SCHEMBL7963326

SCHEMBL7963326

COCCOCOc1c(Cl)cc(CC(=O)O)c(Cl)c1OCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARG P13631 3/20 0.41
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CTNNB1 P35222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
GAA P10253 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
SCHEMBL7959705 0.81 F2 (0.41) RARGF2ELANEKDM4EIKBKB
SCHEMBL7951445 0.79 THRB (0.43) RARGF2ELANETDP1ALDH1A1
SCHEMBL8118365 0.76 PTPN1 (0.40) RARGF2ELANEKDM4ETDP1
SCHEMBL8960720 0.74 RARG (0.32) RARG
SCHEMBL7790107 0.74 RARG (0.36) RARGKDM4ETDP1ALDH1A1CTNNB1
SCHEMBL8687906 0.73 RARG (0.33) RARG
SCHEMBL7964642 0.73 F2 (0.41) RARGF2ELANEIKBKBCTNNB1
SCHEMBL7962063 0.73 F2 (0.46) RARGF2ELANEKDM4ETDP1
SCHEMBL7962571 0.72 FABP4 (0.50) F2ELANEKDM4EIKBKBALDH1A1
SCHEMBL8129345 0.72 F2 (0.37) RARGF2ELANEIKBKBCTNNB1

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