SCHEMBL23935482

SCHEMBL23935482

O=C(O)[C@@H](I)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
PPARA Q07869 4/20 0.51
GRB2 P62993 1/20 0.49
EPHX2 P34913 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FPR2 P25090 1/20 0.47
SRD5A2 P31213 2/20 0.46
PTPN1 P18031 1/20 0.45
FFAR1 O14842 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL14036144 1.00 PPARG (0.51) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL11251320 0.83 FFAR1 (0.58) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL10170597 0.80 PPARG (0.53) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL18248013 0.80 PPARG (0.53) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL43862 0.79 GRB2 (0.76) PPARGPPARAGRB2PTPN1MAPT
SCHEMBL14947065 0.79 PPARA (0.56) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL28737660 0.79 PPARG (0.51) PPARGPPARAGRB2EPHX2L3MBTL1
SCHEMBL43861 0.79 GRB2 (0.76) PPARGPPARAGRB2PTPN1MAPT
SCHEMBL148122 0.79 GRB2 (0.76) PPARGPPARAGRB2PTPN1MAPT
SCHEMBL10077533 0.79 PPARA (0.56) PPARGPPARAGRB2EPHX2L3MBTL1

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
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed