SCHEMBL29087900

SCHEMBL29087900

CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O])=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ MDM2 Q00987 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL29768618 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL13029965 0.91 FDFT1 (0.49) FDFT1MDM4TP53CASP3KMT2A
SCHEMBL29400804 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL800305 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL29762010 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL23056266 0.91 FDFT1 (0.49) FDFT1MDM4TP53CASP3HDAC1
SCHEMBL800035 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL13108944 0.91 FDFT1 (0.49) FDFT1MDM4TP53CASP3KMT2A
SCHEMBL4600701 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2
SCHEMBL29362132 0.91 FDFT1 (0.57) FDFT1MDM4TP53CASP3MDM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891511-A 20 (S) -ginsenoside Rg 2 Amino acid ester derivative, preparation method and application 吉林大学 2023-10-17 — — CN claimed
CN-116891511-A 20 (S) -ginsenoside Rg 2 Amino acid ester derivative, preparation method and application 吉林大学 2023-10-17 — — CN disclosed
Send feedback