SCHEMBL9123842

SCHEMBL9123842

COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2CNC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ HTT P42858 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 1/20 0.37

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
SCHEMBL9126112 1.00 KDM4E (0.40) KDM4EHTTKMT2AMEN1GAA
SCHEMBL9121746 0.84 FOXM1 (0.52) KDM4EKMT2AMEN1L3MBTL1LMNA
SCHEMBL9124466 0.80 KMT2A (0.54) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL9523527 0.80 MEN1 (0.36) KMT2AMEN1SMN1; SMN2
SCHEMBL9126148 0.80 KMT2A (0.46) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL9124881 0.79 PABPC1 (0.48) KDM4EHTTKMT2AMEN1GAA
SCHEMBL9520874 0.76 KMT2A (0.50) KDM4EKMT2AMEN1GAATDP1
SCHEMBL9125178 0.75 NPC1 (0.37) KDM4EKMT2AMEN1LMNA
SCHEMBL10818564 0.72 KMT2A (0.48) KDM4EHTTKMT2AMEN1GAA
SCHEMBL9125185 0.71 MEN1 (0.38) KMT2AMEN1TDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 — — US disclosed
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 — — EP disclosed
US-5112867-A Osteoporosis Treatment KYOWA HAKKO GOGYO CO., LTD. (JP) 1992-05-12 — — US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 — — EP disclosed
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