SCHEMBL7962058

SCHEMBL7962058

COCCOCOc1c(F)ccc(C(O)C(=O)O)c1OCOCCOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 3/20 0.34
CTNNB1 P35222 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
RARA P10276 3/20 0.30
RARB P10826 2/20 0.30
IKBKB O14920 2/20 0.30
KMT2A Q03164 1/20 0.30
MMP1 P03956 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
SCHEMBL7960031 0.84 RARG (0.33) RARGCTNNB1F2ELANERARA
SCHEMBL8379337 0.83 KMT2A (0.32) RARGKDM4EALDH1A1KMT2A
SCHEMBL7951484 0.80 FABP4 (0.50) RARGFABP4FABP5F2ELANE
SCHEMBL7962776 0.78 FABP4 (0.38) RARGNPSR1FABP4FABP5F2
SCHEMBL7962141 0.75 BLM (0.37) RARGNPSR1CES2CES1F2
SCHEMBL8133892 0.74 RAB9A (0.33) RARGKMT2A
SCHEMBL8133598 0.74 PTPN1 (0.47) RARGCTNNB1F2ELANEKDM4E
SCHEMBL8677374 0.73 MAPT (0.40) NPSR1TDP1FABP4FABP5ALDH1A1
SCHEMBL7963652 0.73 CASP3 (0.33) RARGFABP4FABP5KDM4EALDH1A1
SCHEMBL8550659 0.70 RARG (0.33) RARGALDH1A1KMT2AFFAR4

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