SCHEMBL8379337

SCHEMBL8379337

COCCOCOc1c(F)ccc(C(O)C(=O)OC(c2ccccc2)c2ccccc2)c1OCOCCOC

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RARG P13631 2/20 0.32
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
GPR88 Q9GZN0 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
SCHEMBL8550659 0.88 RARG (0.33) KMT2ARAB9ANPC1LMNAHPGD
SCHEMBL8133892 0.87 RAB9A (0.33) KMT2ARAB9ANPC1LMNAHPGD
SCHEMBL7962058 0.83 RARG (0.34) KMT2ARARGALDH1A1KDM4E
SCHEMBL8380382 0.82 RARG (0.36) KMT2ARAB9ANPC1HPGDRARG
SCHEMBL8636164 0.78 LMNA (0.39) KMT2ALMNAHPGDGAAALDH1A1
SCHEMBL9252923 0.77 RARG (0.32) KMT2ARAB9ANPC1RARG
SCHEMBL9065459 0.77 KIF11 (0.33) RAB9ANPC1RARGKIF11
SCHEMBL9364780 0.75 FDPS (0.39) RARGKIF11HTR1AADRA1DADRA1A
SCHEMBL9364775 0.75 FDPS (0.39) RARGKIF11HTR1AADRA1DADRA1A
SCHEMBL8379339 0.75 HTR1A (0.36) KMT2ALMNAALDH1A1HTR1AADRA1D

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