SCHEMBL10491685

SCHEMBL10491685

O=C1CCCCCC[C@H]1C(C[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.40
▸ CA1 P00915 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TACR1 P25103 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
SCHEMBL10491678 1.00 MAPT (0.48) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10491666 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10491674 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10491694 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27165108 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27165041 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27165109 0.99 MAPT (0.49) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
Methyl Alcohol SCHEMBL11009975 0.95 MAPT (0.46) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10491934 0.95 MAPT (0.44) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27204357 0.88 ALDH1A1 (0.43) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1

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-4820734-A ANALGESICS,ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-04-11 — — US disclosed
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