SCHEMBL9303459

SCHEMBL9303459

CCCCCNCC(=O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.50
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ POLB P06746 4/20 0.47
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL10727047 0.79 GAA (0.59) HDAC3ALDH1A1MEN1KMT2AGAA
SCHEMBL20914987 0.79 ALDH1A1 (0.59) HDAC3ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL20914970 0.79 ALDH1A1 (0.59) HDAC3ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL1531620 0.79 GAA (0.57) HDAC3ALDH1A1MEN1KMT2AGAA
SCHEMBL14996212 0.78 SMN1; SMN2 (0.81) HDAC3ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL23099259 0.78 ERCC5 (0.44) ALDH1A1PKMSMN1; SMN2KMT2AERCC5
SCHEMBL31687700 0.78 ERCC5 (0.44) ALDH1A1PKMSMN1; SMN2KMT2AERCC5
SCHEMBL4382929 0.78 GAA (0.59) HDAC3ALDH1A1MEN1KMT2AGAA
SCHEMBL18825664 0.78 GAA (0.59) HDAC3ALDH1A1MEN1KMT2AGAA
SCHEMBL18825687 0.78 GAA (0.59) HDAC3ALDH1A1MEN1KMT2AGAA

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-5344974-A Process for the preparation of N-acyl derivatives of 5-aminolevulinic acid, as well as the hydrochloride of the free acid SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHENSFURT (DE) 1994-09-06 — — US disclosed
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