SCHEMBL10014726

SCHEMBL10014726

CCC(O)COc1ccc(C(C)(C)c2ccc(OCC(COc3ccc(C(C)(C)c4ccc(OC)cc4)cc3)OC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ CASR P41180 1/20 0.43
▸ AR P10275 1/20 0.43
▸ SCN1A P35498 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42

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
SCHEMBL10014727 0.93 MEN1 (0.50) KMT2AMEN1MAPTLMNATP53
SCHEMBL14537561 0.92 LMNA (0.51) KMT2AMEN1MAPTLMNATP53
SCHEMBL17637042 0.83 NPSR1 (0.55) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL801366 0.80 HTT (0.60) KMT2AMEN1MAPTLMNAGAA
SCHEMBL17637037 0.78 KMT2A (0.61) KMT2AMEN1MAPTLMNATP53
SCHEMBL11508035 0.76 LMNA (0.55) KMT2AMEN1MAPTLMNATP53
SCHEMBL11964790 0.75 HTT (0.67) KMT2AMEN1MAPTLMNATP53
SCHEMBL17637038 0.74 POLB (0.40) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL13863485 0.74 AR (0.48) KMT2AMEN1MAPTLMNAGAA
SCHEMBL12789564 0.73 HTT (0.65) KMT2AMEN1MAPTLMNATP53

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-8349942-B2 Intermediate transfer member XEROX CORPORATION (US) 2013-01-08 — — US disclosed
US-20120288788-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-11-15 — — US disclosed
US-20120009371-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-01-12 — — US disclosed
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