SCHEMBL10014727

SCHEMBL10014727

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ LMNA P02545 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 7/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 8/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL10014726 0.93 KMT2A (0.54) MEN1KMT2ALMNATP53MAPT
SCHEMBL14537561 0.88 LMNA (0.51) MEN1KMT2ALMNATP53MAPT
SCHEMBL17637042 0.77 NPSR1 (0.55) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL801366 0.76 HTT (0.60) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL13943151 0.74 HTT (0.47) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL11508035 0.73 LMNA (0.55) MEN1KMT2ALMNATP53MAPT
SCHEMBL17637037 0.72 KMT2A (0.61) MEN1KMT2ALMNATP53MAPT
SCHEMBL11964790 0.71 HTT (0.67) MEN1KMT2ALMNATP53MAPT
SCHEMBL15255520 0.71 HTT (0.56) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL12267193 0.70 HTT (0.58) MEN1KMT2ALMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009371-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-01-12 — — US disclosed
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