SCHEMBL30065504

SCHEMBL30065504

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.53
MDM2 Q00987 1/20 0.49
TLR2 O60603 2/20 0.47
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
GRB2 P62993 1/20 0.46

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
SCHEMBL30523139 0.94 MDM2 (0.53) PTPN1MDM2TLR2MDM4TP53
SCHEMBL23728660 0.94 MDM2 (0.53) PTPN1MDM2TLR2MDM4TP53
SCHEMBL17697136 0.94 MDM2 (0.53) PTPN1MDM2TLR2MDM4TP53
SCHEMBL23728661 0.94 MDM2 (0.53) PTPN1MDM2TLR2MDM4TP53
SCHEMBL29978024 0.92 PTPN1 (0.54) PTPN1MDM2MDM4TP53GRB2
SCHEMBL120511 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53
SCHEMBL29352017 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53
SCHEMBL29768913 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53
SCHEMBL117964 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53
SCHEMBL29792372 0.92 MDM2 (0.55) MDM2TLR2MDM4TP53

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-113501871-B Method for preparing darunavagon by combining solid phase with liquid phase 汉肽生物医药集团有限公司 2022-10-28 CN disclosed