SCHEMBL24977482

SCHEMBL24977482

CC(C)(C)NCCCON

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ODC1 P11926 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL21770740 0.83
SCHEMBL17552875 0.81 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL22547111 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL14176494 0.79 KDM4E (0.42) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL10245201 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL12262494 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL17553368 0.77 KDM4E (0.41) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL20463277 0.77 ODC1 (0.39) ODC1ALDH1A1KDM4EPOLBMEN1
SCHEMBL22932152 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL5839106 0.76 HRH4 (0.39) ALDH1A1KDM4EPOLBMEN1KMT2A

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-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 EP disclosed