SCHEMBL8649507

SCHEMBL8649507

COCCOCOc1cccc(OC(=O)C(ON)C(c2ccccc2)c2ccccc2)c1OCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 4/20 0.32
IKBKB O14920 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RARA P10276 2/20 0.32
MEN1 O00255 3/20 0.31
TSHR P16473 1/20 0.31
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL8380425 0.83 RARG (0.35) LMNAKMT2AIKBKBALDH1A1MEN1
SCHEMBL8378662 0.81 HPGD (0.33) PTPN1L3MBTL1LMNAMAPTKMT2A
SCHEMBL7962591 0.76 PTPN1 (0.44) PTPN1L3MBTL1LMNAMAPTKMT2A
SCHEMBL8124909 0.76 PTPN1 (0.59) PTPN1L3MBTL1LMNAMAPTKMT2A
SCHEMBL7951479 0.73 SMN1; SMN2 (0.50) PTPN1L3MBTL1LMNAMAPTKMT2A
SCHEMBL7951484 0.69 FABP4 (0.50) PTPN1L3MBTL1LMNAMAPTIKBKB
SCHEMBL7962571 0.69 FABP4 (0.50) PTPN1L3MBTL1LMNAMAPTIKBKB
SCHEMBL7962589 0.69 PTPN1 (0.47) PTPN1L3MBTL1LMNAMAPTKMT2A
SCHEMBL8128464 0.68 FABP4 (0.38) PTPN1L3MBTL1LMNAMAPTIKBKB
SCHEMBL7959833 0.67 RARG (0.35) IKBKBRARAF2ELANERARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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