SCHEMBL30899745

SCHEMBL30899745

O=C(NCCN1CCOCCOCCOCC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL6044214 0.99 MEN1 (0.57) MEN1KMT2ANPSR1HPGDCD274
SCHEMBL1463825 0.90 POLB (0.61) MEN1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL7159219 0.89 LMNA (0.63) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL20718021 0.85 SMN1; SMN2 (0.58) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3622367 0.84 KMT2A (0.53) KMT2AHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL8703529 0.84 KAT2B (0.58) LMNASMN1; SMN2HTT
SCHEMBL28546176 0.84 LMNA (0.57) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL31287201 0.84 GAA (0.58) MEN1KMT2ALMNASMN1; SMN2SIRT2
SCHEMBL29889010 0.84 SMN1; SMN2 (0.51) MEN1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL31697361 0.83 LMNA (0.56) MEN1KMT2ANPSR1LMNASMN1; SMN2

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-2024112744-A1 CATALYSTS AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2024-05-30 WO disclosed