SCHEMBL9134705

SCHEMBL9134705

CC(C)(C)OC(=O)CNc1sccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
PTPRC P08575 2/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
PTGES O14684 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
STING1 Q86WV6 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL9135517 0.81 MAPT (0.37) PTPRCALDH1A1
SCHEMBL9135364 0.79 CTNNB1 (0.38) POLBLMNACTNNB1WNT3AKDM4E
SCHEMBL3121726 0.73 ACP1 (0.39) POLBLMNAPTPRCPTGESPSEN1
SCHEMBL18740444 0.71 ALDH1A1 (0.46) POLBLMNAPTGESPSEN1PSEN2
SCHEMBL1433121 0.71 EPHX2 (0.43) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL9779474 0.71 GAA (0.40) POLBLMNAPTPRCKDM4EALDH1A1
SCHEMBL1433633 0.71 IDH1 (0.47) POLBLMNAPSEN1PSEN2APH1B
SCHEMBL1433412 0.70 RAPGEF3 (0.46) POLBLMNAPTGESPSEN1PSEN2
SCHEMBL1688815 0.70 POLB (0.47) POLBLMNAPTPRCCTNNB1KDM4E
SCHEMBL25185645 0.68 CTSS (0.38) POLBPTPRC

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
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed