SCHEMBL18977033

SCHEMBL18977033

CCC(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MTNR1A P48039 7/20 0.36
▸ MTNR1B P49286 7/20 0.36
▸ RECQL P46063 1/20 0.33
▸ ABCB11 O95342 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL15426045 0.97 MEN1 (0.40) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL18878682 0.90 CASP2 (0.41) HPGDHTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL16724725 0.88 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL17750731 0.88 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL18875550 0.87 HPGD (0.35) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL23714576 0.87 KMT2A (0.49) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL25672136 0.86 KMT2A (0.47) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL18878679 0.85 HPGD (0.38) HPGDHTTSMN1; SMN2KMT2AMTNR1A
SCHEMBL337575 0.85 SMN1; SMN2 (0.49) HPGDHTTSMN1; SMN2KMT2A
SCHEMBL4818636 0.85 SMN1; SMN2 (0.49) HPGDHTTSMN1; SMN2KMT2A

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
WO-2017098029-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-06-15 — — WO disclosed
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