SCHEMBL27413465

SCHEMBL27413465

O=C(N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.49
FPR2 P25090 1/20 0.45
PTPN1 P18031 2/20 0.44
MDM4 O15151 3/20 0.42
TP53 P04637 3/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
GPR132 Q9UNW8 1/20 0.37

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
SCHEMBL29445591 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL2304920 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL29397862 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL30686153 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL2304915 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL3724885 0.85 MDM2 (0.59) MDM2FPR2PTPN1MDM4TP53
SCHEMBL24633696 0.83 MDM4 (0.46) MDM2MDM4TP53
SCHEMBL24633706 0.82 MDM4 (0.43) MDM2MDM4TP53GPR132
SCHEMBL20112950 0.78 MDM4 (0.40) MDM2PTPN1MDM4TP53GPR132
SCHEMBL3264342 0.78 MDM4 (0.44) MDM2MDM4TP53CTSLCTSK

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-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed