SCHEMBL9763320

SCHEMBL9763320

COC(=O)c1cc(C(=O)CN(CCCCCCOCCc2ccc(N3CCCC3)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LRRK2 Q5S007 3/20 0.39
▸ PTPN2 P17706 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTPRF P10586 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARG P37231 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL11750936 0.84 SMN1; SMN2 (0.47) ALDH1A1MAPTMEN1KMT2APTPN2
SCHEMBL456296 0.80 FOLH1 (0.43) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10076826 0.76 MAOB (0.43) MEN1KMT2A
SCHEMBL9574173 0.76 MAOB (0.43) MEN1KMT2A
SCHEMBL10488546 0.75 RAF1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL10464519 0.75 KDM4E (0.39) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1316513 0.73 LRRK2 (0.63) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1191417 0.72 KDM4E (0.46) KDM4EALDH1A1GAA
SCHEMBL9763759 0.71 ADRB2 (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL10477760 0.71 MEN1 (0.47) MEN1KMT2A

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 — — US disclosed
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