SCHEMBL8477117

SCHEMBL8477117

COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(C(=O)NCCN3CCCCC3)n(CCN(C)C)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER4 P35408 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
SLC6A2 P23975 1/20 0.38
APP P05067 1/20 0.36
ACHE P22303 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
SCHEMBL8477343 0.99 KDM4E (0.41) KDM4ELMNAGLAL3MBTL1PTGER4
SCHEMBL8476854 0.93 PTGER4 (0.42) KDM4ELMNAPTGER4POLBKMT2A
SCHEMBL8472329 0.90 EGFR (0.41) KDM4EPTGER4POLBKMT2AMEN1
SCHEMBL7616866 0.89 PTGER4 (0.38) KDM4EPTGER4POLBKMT2AMEN1
SCHEMBL8476916 0.89 KDM4E (0.43) KDM4ELMNAKMT2AALDH1A1MAPT
SCHEMBL8478305 0.89 KDM4E (0.51) KDM4ELMNAPTGER4POLBKMT2A
SCHEMBL8474602 0.88 KDM4E (0.49) KDM4ELMNAPTGER4KMT2AMEN1
SCHEMBL8472652 0.87 KDM4E (0.47) KDM4ELMNAPTGER4KMT2AMEN1
SCHEMBL8479252 0.86 NPY1R (0.38)
SCHEMBL7613036 0.86 KDM4E (0.38) KDM4EPTGER4KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed
EP-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed