SCHEMBL9841858

SCHEMBL9841858

CC(C)C1=CC(=O)C=C(C(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
CES2 O00748 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CES1 P23141 1/20 0.41
MPI P34949 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 1/20 0.39
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
PTPN1 P18031 1/20 0.34
EEF2K O00418 1/20 0.33
PLK1 P53350 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL13929495 0.82 ATM (0.39) ALDH1A1MAPTATMCES2PKM
SCHEMBL11412160 0.80 CDC25A (0.32) CDC25ACDC25BPTPN1
SCHEMBL754972 0.79 CDC25A (0.45) MAPTCES2CES1CDC25ACDC25B
SCHEMBL853674 0.79 MAPT (0.52) ALDH1A1MAPTATMCES2PKM
Methane SCHEMBL21391655 0.77 ATM (0.50) ALDH1A1MAPTATMCES2PKM
Water SCHEMBL28969836 0.77 CDC25A (0.43) MAPTCES2CES1CDC25ACDC25B
SCHEMBL11412164 0.75 CNR2 (0.37)
SCHEMBL485498 0.71 MAPT (0.45) ALDH1A1MAPTATMCES2PKM
SCHEMBL5038101 0.71 EEF2K (0.46) ALDH1A1MAPTATMPKMHPGD
SCHEMBL19413742 0.70 MAPT (0.43) ALDH1A1MAPTATMCES2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021041732-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-04 WO disclosed
US-5059598-A Antiinflammatory agents; lipoxygenase inhibitors; arthritis; asthma OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-10-22 US disclosed
US-4868183-A ANTIINFLAMMATORY, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-09-19 US disclosed
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP disclosed