SCHEMBL8380382

SCHEMBL8380382

COCCOCOc1cc(C(O)C(=O)OC(c2ccccc2)c2ccccc2)cc(F)c1OCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.36
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
KIF11 P52732 1/20 0.32
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
IKBKB O14920 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL7959833 0.87 RARG (0.35) RARGRARARARBKIF11F2
SCHEMBL8550659 0.86 RARG (0.33) RARGKIF11FFAR4HPGDMAPK1
SCHEMBL9364780 0.84 FDPS (0.39) RARGRARARARBKIF11F2
SCHEMBL9364775 0.84 FDPS (0.39) RARGRARARARBKIF11F2
SCHEMBL7962141 0.84 BLM (0.37) RARGRARARARBF2ELANE
SCHEMBL8379337 0.82 KMT2A (0.32) RARGKIF11HPGDTSHRNPC1
SCHEMBL8550666 0.80 HTT (0.34) RARGRARARARBF2ELANE
SCHEMBL9252923 0.78 RARG (0.32) RARGMAPK1NPC1RAB9AKMT2A
SCHEMBL9065459 0.78 KIF11 (0.33) RARGRARARARBKIF11MAPK1
SCHEMBL8435541 0.76 RARG (0.37) RARGRARARARBF2ELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed