SCHEMBL25007307

SCHEMBL25007307

CON(C)C(=O)C(F)(F)c1cccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 6/20 0.48
PTPN1 P18031 4/20 0.48
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TRPM2 O94759 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
NR1H3 Q13133 1/20 0.39
AOC3 Q16853 1/20 0.39
KIF11 P52732 1/20 0.39
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL30222787 1.00 PTPN5 (0.48) PTPN5PTPN1RXRARXRBTRPM2
SCHEMBL22670274 0.81 TSHR (0.46)
SCHEMBL29433296 0.81 TSHR (0.46)
SCHEMBL25006865 0.81 RIPK1 (0.41)
SCHEMBL30222838 0.81 RIPK1 (0.41)
SCHEMBL22658398 0.80 TP53 (0.50)
SCHEMBL28846037 0.79 PTPN5 (0.53) PTPN5PTPN1RXRARXRBTRPM2
SCHEMBL6451094 0.74 PTGDR2 (0.43) PLGPLAUPLATKIF11
SCHEMBL22670292 0.73 RXFP1 (0.52) RORC
SCHEMBL25007308 0.73 PTPN5 (0.53) PTPN5PTPN1RXRARXRBKIF11

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-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed