SCHEMBL23905507

SCHEMBL23905507

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
PTGS2 P35354 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC4 P56524 1/20 0.34
AR P10275 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23905512 0.85 APP (0.43) APPPTGS2ALDH1A1HPGDGPR35
SCHEMBL23905295 0.83 HCAR2 (0.38) PTGS2AGBL2RECQLMAPTSMN1; SMN2
SCHEMBL3959782 0.81 RECQL (0.46) ALDH1A1RECQLMAPTL3MBTL1SMN1; SMN2
SCHEMBL3959783 0.81 RECQL (0.46) ALDH1A1RECQLMAPTL3MBTL1SMN1; SMN2
SCHEMBL3310234 0.74 RECQL (0.37) APPPTGS2RECQLHPGDMAPT
SCHEMBL12498149 0.74 AKR1C3 (0.43) APPAGBL2ALDH1A1TAS2R14HPGD
SCHEMBL12498144 0.74 AKR1C3 (0.43) APPAGBL2ALDH1A1TAS2R14HPGD
SCHEMBL12498146 0.71 APP (0.60) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3311082 0.71 NPFFR1 (0.43) APPRECQLKDM4EMAPTL3MBTL1
SCHEMBL23904777 0.70 MTNR1A (0.33) MAPTSMN1; SMN2

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