SCHEMBL9063229

SCHEMBL9063229

COc1ccc(CCNC(=O)CNc2cccc(C(=O)NCCO)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ NAMPT P43490 1/20 0.51

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
SCHEMBL9063062 0.91 MAPK1 (0.54) MAPK1POLBGAANPC1RAB9A
Ecabapide SCHEMBL29367974 0.90 MAPT (0.56) MAPK1POLBGAAMAPTKMT2A
Ecabapide SCHEMBL637042 0.90 MAPT (0.56) MAPK1POLBGAAMAPTKMT2A
Ecabapide SCHEMBL29367862 0.90 MAPT (0.56) MAPK1POLBGAAMAPTKMT2A
SCHEMBL9769115 0.88 KMT2A (0.56) MAPK1POLBMAPTKMT2AALDH1A1
Water SCHEMBL9769056 0.87 KMT2A (0.55) MAPK1POLBMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11274170 0.87 KMT2A (0.55) MAPK1POLBMAPTKMT2AALDH1A1
SCHEMBL9063049 0.85 KMT2A (0.53) MAPK1RAB9AMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6370914 0.83 F2 (0.55) MAPK1MAPTKMT2AALDH1A1HTT
SCHEMBL11282670 0.83 ERCC1 (0.65) MAPTKMT2AALDH1A1HTTMEN1

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
EP-0697215-A1 DIGESTIVE SYMPTOM AMELIORANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-02-21 — — EP disclosed
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