SCHEMBL30945050

SCHEMBL30945050

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ CASP3 P42574 2/20 0.55
▸ MDM2 Q00987 6/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ SLC17A5 Q9NRA2 1/20 0.50

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
SCHEMBL29091196 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8897778 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8895610 0.95 MDM4 (0.62) MDM4TP53CASP3MDM2KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL800078 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21978446 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL18614310 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL17992916 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21978443 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL1002861 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A

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-118146196-A FAP inhibitors 海德堡大学 2024-06-07 — — CN disclosed
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