SCHEMBL8380425

SCHEMBL8380425

COCCOCOc1cc(OC(=O)C(ON)C(c2ccccc2)c2ccccc2)cc(Cl)c1OCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARG P13631 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.33
PLAU P00749 1/20 0.33
TTR P02766 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
STING1 Q86WV6 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL8649507 0.83 PTPN1 (0.36) RARGALDH1A1LMNAF2ELANE
SCHEMBL8127189 0.76 STING1 (0.44) RARGALDH1A1KDM4EMAPK1NPSR1
SCHEMBL7961487 0.74 RARG (0.38) RARGALDH1A1KDM4ELMNAF2
SCHEMBL7962063 0.73 F2 (0.46) RARGKDM4ELMNAF2ELANE
SCHEMBL7961481 0.69 RARG (0.38) RARGALDH1A1KDM4ELMNAPLAU
SCHEMBL7962067 0.69 RARG (0.40) RARGALDH1A1KDM4ENPSR1LMNA
SCHEMBL8378662 0.69 HPGD (0.33) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8134003 0.68 RARG (0.38) RARGALDH1A1KDM4ELMNAF2
SCHEMBL7959833 0.68 RARG (0.35) RARGMAPK1F2ELANEIKBKB
SCHEMBL7951445 0.67 THRB (0.43) RARGALDH1A1F2ELANE

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