SCHEMBL3348530

SCHEMBL3348530

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ROCK2 O75116 1/20 0.38
ALPL P05186 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
HIF1A Q16665 1/20 0.35
GCK P35557 1/20 0.34
CXCR2 P25025 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL3448579 0.90 UCHL1 (0.38) DGAT1ROCK2KMT2AGSK3AGSK3B
SCHEMBL3450320 0.84 DGAT1 (0.42) DGAT1ALDH1A1ROCK2ALPLKDM4E
SCHEMBL3377209 0.84 DGAT1 (0.42) DGAT1ROCK2ALPLTSHRGSK3A
SCHEMBL29604061 0.80 ALPL (0.46) DGAT1ALDH1A1ROCK2ALPLKDM4E
SCHEMBL789862 0.80 ALPL (0.46) DGAT1ALDH1A1ROCK2ALPLKDM4E
SCHEMBL3348525 0.80 RORC (0.38) DGAT1ALDH1A1ROCK2ALPLKDM4E
SCHEMBL3373117 0.79 TBXAS1 (0.42) ALDH1A1KDM4EKMT2A
SCHEMBL3345812 0.78 PIM1 (0.43) ALDH1A1KDM4EKMT2AHSD17B10GLA
SCHEMBL3448376 0.78 DGAT1 (0.46) DGAT1ROCK2ALPLGSK3AGSK3B
SCHEMBL3344574 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AHPGDTSHR

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-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed