SCHEMBL29802260

SCHEMBL29802260

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.51
▸ ACE2 Q9BYF1 2/20 0.47
▸ ESR1 P03372 4/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ SLC15A2 Q16348 1/20 0.41
▸ NPY4R P50391 1/20 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
SCHEMBL29432579 0.86 REN (0.51) RENACE2ESR1PTPN1ESR2
SCHEMBL29310044 0.82 PTPN1 (0.43) PTPN1
SCHEMBL29689144 0.81 REN (0.48) RENACE2ESR1PTPN1ESR2
SCHEMBL29883039 0.79 CYP3A4 (0.48) RENPTPN1SLC15A2
SCHEMBL21529460 0.75 REN (0.46) RENACE2ESR1SLC15A2
SCHEMBL28354383 0.75 REN (0.46) RENACE2ESR1SLC15A2
SCHEMBL24462463 0.74 REN (0.74) RENACE2PTPN1NPY4R
SCHEMBL29310045 0.74 PTPN1 (0.42) PTPN1
SCHEMBL18402423 0.74 REN (0.60) RENACE2SLC15A2
SCHEMBL31094977 0.73 PTPN1 (0.46) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133720-B2 Methods and compositions for restoring homeostatic capacity of a subject Palo Alto Investors LP (US) 2024-11-05 — — US disclosed
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 — — WO disclosed
CN-113106147-B Three-dimensional DNA nano machine driven by exonuclease III and application thereof 山东师范大学 2022-08-02 — — CN disclosed
Send feedback