SCHEMBL28773162

SCHEMBL28773162

CC(C)C[C@H](CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.42
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39

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
SCHEMBL28773163 1.00 CASP3 (0.42) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL25657661 0.96 CASP3 (0.39) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL25658585 0.91 PTPN1 (0.36) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL26666846 0.89 CASP3 (0.44) CASP3MDM4TP53KMT2AFABP7
SCHEMBL28773107 0.89 CASP3 (0.44) CASP3MDM4TP53KMT2AFABP7
SCHEMBL29129262 0.89 CASP3 (0.41) CASP3MDM4TP53KMT2AFABP7
SCHEMBL28773045 0.89 CASP3 (0.41) CASP3MDM4TP53KMT2AFABP7
SCHEMBL28773198 0.89 MDM4 (0.39) CASP3MDM4TP53PTPN1FABP7
SCHEMBL28773146 0.87 CASP3 (0.40) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL28773143 0.87 CASP3 (0.40) CASP3MDM4TP53PTPN1KMT2A

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
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 — — CN disclosed
Send feedback