SCHEMBL8129031

SCHEMBL8129031

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36
RARG P13631 10/20 0.35
IKBKB O14920 3/20 0.33
RARA P10276 2/20 0.33
RARB P10826 1/20 0.33
CTNNB1 P35222 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7959705 0.88 F2 (0.41) F2ELANERARGIKBKBRARA
SCHEMBL8128464 0.84 FABP4 (0.38) F2ELANERARGIKBKBRARA
SCHEMBL7962553 0.78 RARG (0.36) F2ELANERARGIKBKBRARA
SCHEMBL8127905 0.77 PTPN1 (0.44) F2ELANERARGIKBKBRARA
SCHEMBL8132737 0.77 RARG (0.38) F2ELANERARGCTNNB1KDM4E
SCHEMBL8134415 0.76 RARG (0.35) F2ELANERARGIKBKBRARA
SCHEMBL7962775 0.76 F2 (0.49) F2ELANERARGRARARARB
SCHEMBL7962550 0.75 PTPN1 (0.36) F2ELANERARGIKBKBRARA
SCHEMBL8129345 0.74 F2 (0.37) F2ELANERARGIKBKBRARA
SCHEMBL7962776 0.73 FABP4 (0.38) F2ELANERARGIKBKBRARA

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
EP-0994708-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-04-26 EP disclosed
WO-1998055123-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed