SCHEMBL6982829

SCHEMBL6982829

COc1ccc(C(=O)N(CC(=O)Oc2ccccc2C(F)(F)F)Cc2ccc(OC)cc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LPAR1 Q92633 6/20 0.45
LPAR5 Q9H1C0 6/20 0.45
EPHX2 P34913 3/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6582986 0.85 TDP1 (0.48) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL4832284 0.76 KDM4E (0.50) KDM4EALDH1A1TDP1GAAKMT2A
SCHEMBL4837125 0.76 KDM4E (0.49) KDM4EALDH1A1TDP1GAAKMT2A
SCHEMBL20491096 0.69 EPHX2 (0.45) KDM4EALDH1A1TDP1GAAKMT2A
SCHEMBL5410659 0.69 TDP1 (0.53) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL14357373 0.69 TDP1 (0.55) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL5399087 0.68 ALDH1A1 (0.53) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL14357374 0.68 ALDH1A1 (0.53) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL5396564 0.67 TDP1 (0.48) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL25342155 0.66 ALDH1A1 (0.47) KDM4EALDH1A1TDP1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed