SCHEMBL30962356

SCHEMBL30962356

O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.46
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ACE P12821 6/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ FDFT1 P37268 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL17450537 0.90 PRCP (0.43) PRCPMDM4TP53ACEACE2
SCHEMBL29777562 0.86 PRCP (0.46) PRCPMDM4TP53ACEMDM2
SCHEMBL23014548 0.86 PRCP (0.42) PRCPMDM4TP53ACEACE2
SCHEMBL23014549 0.86 PRCP (0.42) PRCPMDM4TP53ACEACE2
SCHEMBL29812637 0.86 MDM4 (0.43) MDM4TP53MDM2KMT2A
SCHEMBL30057736 0.85 PRCP (0.49) PRCPMDM4TP53ACEACE2
SCHEMBL30272489 0.85 PRCP (0.46) PRCPMDM4TP53ACEACE2
SCHEMBL24579222 0.84 ACE (0.58) ACEACE2
SCHEMBL29696658 0.84 ACE (0.58) ACEACE2
SCHEMBL29697676 0.84 ACE (0.58) ACEACE2

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-114685614-B Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2024-07-12 — — CN claimed
CN-114685614-B Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2024-07-12 — — CN disclosed
Send feedback