SCHEMBL9837607

SCHEMBL9837607

CCCOc1ccccc1-c1cccc(C(=O)CC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 1/20 0.52
PTGER1 P34995 1/20 0.48
KDM4E B2RXH2 8/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 2/20 0.45
MAPT P10636 1/20 0.45
ABL1 P00519 1/20 0.44
THRA P10827 1/20 0.44
KMT2A Q03164 2/20 0.43
PTPN11 Q06124 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5149366 0.88 PTGER1 (0.62) L3MBTL1TDP1LMNAMAPK1HTT
SCHEMBL77988 0.86 KDM4E (0.50) L3MBTL1TDP1LMNAMAPK1HTT
SCHEMBL29239975 0.80 PTPN11 (0.67) PTGER1KDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL27528318 0.78 ADRB2 (0.54) LMNAMAPK1PTGER1KDM4EALDH1A1
SCHEMBL23041052 0.77 L3MBTL1 (0.50) L3MBTL1TDP1LMNAMAPK1HTT
SCHEMBL28053324 0.77 MAPT (0.50) L3MBTL1TDP1LMNAMAPK1HTT
SCHEMBL14241162 0.77 NR1H4 (0.53) L3MBTL1SMN1; SMN2MAPT
SCHEMBL15473251 0.77 ADRB2 (0.49) L3MBTL1TDP1LMNAMAPK1KDM4E
SCHEMBL1133183 0.76 PTGER1 (0.65) L3MBTL1TDP1LMNAMAPK1HTT
SCHEMBL13531027 0.76 THRA (0.55) L3MBTL1TDP1LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462150-A1 NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM. LAEVOSAN GMBH & CO KG (AT) 1991-12-27 EP disclosed
WO-1990010628-A1 NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM LAEVOSAN-GESELLSCHAFT MBH (AT) 1990-09-20 WO disclosed