SCHEMBL29975563

SCHEMBL29975563

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.64
▸ KDM4E B2RXH2 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ MPO P05164 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ ERAP2 Q6P179 1/20 0.62
▸ ECE1 P42892 6/20 0.60
▸ LTA4H P09960 1/20 0.59
▸ ALOX15 P16050 1/20 0.59

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
SCHEMBL29828893 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828703 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29829233 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828574 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29440485 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828625 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828268 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828853 0.97 KDM4E (0.64) ACEKDM4EMEN1LMNAMPO
SCHEMBL31485773 0.95 LTA4H (0.62) ACEKDM4EMEN1LMNAMPO
SCHEMBL29828595 0.95 LTA4H (0.62) ACEKDM4EMEN1LMNAMPO

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
EP-4308146-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES Oak Crest Institute of Science (US) 2024-01-24 — — EP disclosed
EP-4171746-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL RESPIRATORY DISEASES Oak Crest Institute of Science (US) 2023-05-03 — — EP disclosed
WO-2022232275-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES OAK CREST INSTITUTE OF SCIENCE (US) 2022-11-03 — — WO disclosed
Send feedback