SCHEMBL24458096

SCHEMBL24458096

Cc1cc(F)cc(C(C)O)c1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
METAP2 P50579 1/20 0.31
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24458099 0.83 CES2 (0.34) PDE2APTGS1PTGS2CES2CES1
SCHEMBL25109665 0.83 TRPM8 (0.40) PDE2ACES2CES1METAP2KCNH2
SCHEMBL9945897 0.82 LMNA (0.33)
SCHEMBL19682788 0.78
SCHEMBL1748548 0.76 ALDH1A1 (0.34)
SCHEMBL23495805 0.75 MEN1 (0.40) PTGS1PTGS2CES2CES1MEN1
SCHEMBL13265101 0.74 MEN1 (0.41) PDE2ACES2CES1METAP2KCNH2
SCHEMBL16629395 0.74 MEN1 (0.41) PDE2APTGS1PTGS2CES2CES1
SCHEMBL17215607 0.74 MEN1 (0.41) PDE2ACES2CES1METAP2KCNH2
SCHEMBL24458097 0.74 GABRA1 (0.45) PDE2AKCNH2MEN1KMT2A

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-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed