SCHEMBL7962063

SCHEMBL7962063

COCCOCOc1cc(OCC(=O)O)cc(Cl)c1OCOCCOC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
ELANE P08246 1/20 0.46
MCL1 Q07820 1/20 0.42
RARG P13631 3/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7961481 0.84 RARG (0.38) F2ELANERARGKDM4ETDP1
SCHEMBL8127189 0.83 STING1 (0.44) F2ELANERARGKDM4ETDP1
SCHEMBL7951445 0.83 THRB (0.43) F2ELANERARGTDP1THRA
SCHEMBL7962513 0.83 HPGD (0.49) F2ELANELMNAALOX15
SCHEMBL7961487 0.81 RARG (0.38) F2ELANERARGKDM4ETDP1
SCHEMBL7962775 0.78 F2 (0.49) F2ELANERARGKDM4ETDP1
SCHEMBL8134003 0.76 RARG (0.38) F2ELANERARGKDM4ETDP1
SCHEMBL8132737 0.76 RARG (0.38) F2ELANERARGKDM4ELMNA
SCHEMBL7962067 0.76 RARG (0.40) F2ELANERARGKDM4ELMNA
SCHEMBL7951479 0.76 SMN1; SMN2 (0.50) F2ELANEKDM4ETDP1LMNA

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-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed