SCHEMBL7959705

SCHEMBL7959705

COCCOCOc1ccc(CC(=O)O)c(Cl)c1OCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
RARG P13631 8/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RARA P10276 2/20 0.36
RARB P10826 1/20 0.36
IKBKB O14920 3/20 0.36
CAMK2A Q9UQM7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8129031 0.88 F2 (0.36) F2ELANERARGRARARARB
SCHEMBL7962775 0.83 F2 (0.49) F2ELANERARGHSD17B10RARA
SCHEMBL7962571 0.82 FABP4 (0.50) F2ELANEFABP4FABP5IKBKB
SCHEMBL7963326 0.81 RARG (0.41) F2ELANERARGFABP4FABP5
SCHEMBL8127905 0.79 PTPN1 (0.44) F2ELANERARGHSD17B10RARA
SCHEMBL8134415 0.78 RARG (0.35) F2ELANERARGHSD17B10RARA
SCHEMBL7962776 0.78 FABP4 (0.38) F2ELANERARGFABP4FABP5
SCHEMBL7962553 0.77 RARG (0.36) F2ELANERARGRARARARB
SCHEMBL7962550 0.77 PTPN1 (0.36) F2ELANERARGRARARARB
SCHEMBL7951445 0.75 THRB (0.43) F2ELANERARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed