SCHEMBL29137513

SCHEMBL29137513

CC(C)(C)OOC1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41
GID4 Q8IVV7 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA7 P36544 2/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.38
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 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
SCHEMBL30772430 1.00 IDO1 (0.58) IDO1MAPK1MAPK14GID4GPR84
SCHEMBL30772428 1.00 IDO1 (0.58) IDO1MAPK1MAPK14GID4GPR84
SCHEMBL180403 0.84 IDO1 (0.72) IDO1GID4GPR84SLC6A4CHRNA7
SCHEMBL17212033 0.83 IDO1 (0.62) IDO1MAPK1MAPK14GID4GPR84
SCHEMBL18355783 0.83 IDO1 (0.62) IDO1MAPK1MAPK14GID4GPR84
SCHEMBL31251494 0.78 IDO1 (0.68) IDO1GID4GPR84SLC6A4FFAR1
SCHEMBL12727345 0.78 IDO1 (0.68) IDO1GID4GPR84SLC6A4FFAR1
SCHEMBL29518873 0.78 IDO1 (0.68) IDO1GID4GPR84SLC6A4FFAR1
SCHEMBL3907558 0.78 IDO1 (0.68) IDO1GID4GPR84SLC6A4FFAR1
SCHEMBL2472307 0.78 IDO1 (0.68) IDO1GID4GPR84SLC6A4FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN claimed
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN disclosed