SCHEMBL29588721

SCHEMBL29588721

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.48
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CAPN1 P07384 2/20 0.41

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
Hydrochloric Acid SCHEMBL30233330 0.99 PTPN1 (0.48) PTPN1MDM4TP53CAPN1
SCHEMBL29400706 0.86 MDM4 (0.54) MDM4TP53
SCHEMBL29589719 0.86 MDM4 (0.54) MDM4TP53
SCHEMBL5717688 0.86 MDM4 (0.54) MDM4TP53
SCHEMBL30234099 0.86 MDM4 (0.54) MDM4TP53
SCHEMBL27582559 0.86 MDM4 (0.54) MDM4TP53
SCHEMBL30261676 0.81 PTPN1 (0.53) PTPN1MDM4TP53CAPN1
SCHEMBL29531966 0.81 PTPN1 (0.53) PTPN1MDM4TP53CAPN1
Hydrochloric Acid SCHEMBL3919238 0.81 MDM4 (0.48) MDM4TP53
Hydrochloric Acid SCHEMBL29601405 0.80 PTPN1 (0.53) PTPN1MDM4TP53CAPN1

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-114315978-A Method for synthesizing histrelin by solid-liquid method 湖南三太药业有限公司 2022-04-12 — — CN claimed
CN-114315978-A Method for synthesizing histrelin by solid-liquid method 湖南三太药业有限公司 2022-04-12 — — CN disclosed
Send feedback