SCHEMBL17060548

SCHEMBL17060548

C=CC(=O)N(CC1CCCO1)C(CC)N(CC1CCCO1)C(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OXTR P30559 1/20 0.33

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
SCHEMBL611099 0.77 OXTR (0.43) ALDH1A1KDM4ELMNAPOLBUSP2
SCHEMBL15694271 0.73 OXTR (0.38) KMT2AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL21828769 0.72 LMNA (0.42) ALDH1A1KDM4ELMNAPOLBUSP2
SCHEMBL15663014 0.72 OXTR (0.40) ALDH1A1KDM4ELMNAPOLBUSP2
SCHEMBL15715628 0.72 OXTR (0.40) HTTALDH1A1KDM4ELMNAPOLB
SCHEMBL17060547 0.72 KMT2A (0.35) HTTKMT2AALDH1A1KDM4ETSHR
SCHEMBL21869514 0.69 GAA (0.36) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL611403 0.69 LMNA (0.37) HTTKMT2AALDH1A1LMNAPOLB
SCHEMBL1345211 0.69 ALDH1A1 (0.39) HTTKMT2AALDH1A1KDM4ETSHR
SCHEMBL22074352 0.68 ALDH1A1 (0.48) KMT2AALDH1A1KDM4ETSHRHSD17B10

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
EP-2914234-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2015-09-09 EP disclosed