SCHEMBL29065699

SCHEMBL29065699

CC(C)(O)C(C)(C)O.OB(O)OC1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41
FFAR1 O14842 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
LMNA P02545 1/20 0.38
GID4 Q8IVV7 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL840708 0.91 IDO1 (0.64) IDO1FFAR1GPR84SLC6A4ALDH1A1
SCHEMBL29077423 0.89 IDO1 (0.62) IDO1FFAR1GPR84SLC6A4ALDH1A1
SCHEMBL17212033 0.76 IDO1 (0.62) IDO1MAPK1MAPK14FFAR1GPR84
SCHEMBL18355783 0.76 IDO1 (0.62) IDO1MAPK1MAPK14FFAR1GPR84
SCHEMBL2472307 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4
SCHEMBL12727345 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4
SCHEMBL31251494 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4
SCHEMBL298463 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4
SCHEMBL31235704 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4
SCHEMBL29518873 0.74 IDO1 (0.68) IDO1FFAR1GPR84GID4SLC6A4

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
CN-114622226-B Method for electrocatalytic synthesis of alkyl borate 中国科学院大连化学物理研究所 2023-09-08 CN disclosed