SCHEMBL23905512

SCHEMBL23905512

COC(=O)/C(=C\c1cncc(C(F)(F)F)c1)CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
AR P10275 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL23904777 0.86 MTNR1A (0.33) MAPTLMNA
SCHEMBL23905507 0.85 APP (0.47) APPARPTGS2L3MBTL1PSEN1
SCHEMBL1914722 0.73 RECQL (0.46) MEN1KMT2AMAPT
SCHEMBL1914726 0.73 RECQL (0.46) MEN1KMT2AMAPT
SCHEMBL4298399 0.71 TUBB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4298394 0.71 TUBB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2875911 0.69 RECQL (0.42) PTGS2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23905295 0.69 HCAR2 (0.38) PTGS2MAPTLMNA
SCHEMBL12498146 0.68 APP (0.60) APPALDH1A1MEN1KMT2AKDM4E
SCHEMBL17242706 0.67 KDM4E (0.50) APPARALDH1A1MEN1KMT2A

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed