SCHEMBL29907962

SCHEMBL29907962

O=C(N[C@H](Cc1ccccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.56
TP53 P04637 3/20 0.56
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MDM2 Q00987 6/20 0.49
CASP3 P42574 2/20 0.48
SLC17A5 Q9NRA2 1/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL30069011 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL31694964 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL799781 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29401284 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL119547 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL3725839 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL22444670 0.90 MDM4 (0.55) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29989253 0.89 MDM4 (0.58) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL31688511 0.87 GPR132 (0.53) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29989230 0.87 MDM4 (0.56) MDM4TP53MDM2CASP3SLC17A5

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-116270965-A Method and composition for stabilizing cetrorelix lyophilized composition 海南中和药业股份有限公司 2023-06-23 CN disclosed
CN-116217672-A Pure gonadotropin releasing hormone antagonist cetrorelix 海南中和药业股份有限公司 2023-06-06 CN disclosed