SCHEMBL30148596

SCHEMBL30148596

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CC(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.40
ROCK1 Q13464 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
DGAT1 O75907 1/20 0.37
HIF1A Q16665 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
LPL P06858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
F11 P03951 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL17387588 0.86 HSD17B10 (0.55) CSF1RROCK1HSD17B10AAK1DGAT1
SCHEMBL136447 0.85 CSF1R (0.41) CSF1RROCK1HSD17B10AAK1DGAT1
SCHEMBL27159855 0.81 ALDH1A1 (0.44) CSF1RMEN1ALDH1A1KMT2ALIPG
SCHEMBL30159430 0.80 CSF1R (0.43) CSF1RROCK1AAK1DGAT1HIF1A
SCHEMBL12006791 0.80 CSF1R (0.43) CSF1RROCK1AAK1DGAT1HIF1A
SCHEMBL21177199 0.78 CSF1R (0.42) CSF1RROCK1AAK1DGAT1HIF1A
SCHEMBL27160080 0.78 LPL (0.40) CSF1RROCK1MEN1ALDH1A1KMT2A
SCHEMBL1555488 0.78 HTR2A (0.44) CSF1RLIPGLPL
SCHEMBL17939853 0.78 PDE4D (0.42) CSF1RROCK1AAK1DGAT1HIF1A
SCHEMBL17939850 0.77 AAK1 (0.42) CSF1RROCK1POLBHSD17B10AAK1

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-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed