SCHEMBL29379871

SCHEMBL29379871

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.62
▸ MME P08473 1/20 0.58
▸ ACE P12821 1/20 0.58
▸ CPA1 P15085 1/20 0.58
▸ ACE2 Q9BYF1 1/20 0.58
▸ BACE2 Q9Y5Z0 2/20 0.56
▸ CTSD P07339 2/20 0.55
▸ ENPEP Q07075 5/20 0.53

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
SCHEMBL29603718 1.00 BACE1 (0.62) BACE1MMEACECPA1ACE2
SCHEMBL29379622 1.00 BACE1 (0.62) BACE1MMEACECPA1ACE2
SCHEMBL30117298 0.93 BACE1 (0.64) BACE1MMEACECPA1ACE2
SCHEMBL30054652 0.92 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL30819112 0.91 BACE1 (0.56) BACE1MMEACECPA1ACE2
SCHEMBL30054528 0.91 BACE1 (0.56) BACE1MMEACECPA1ACE2
SCHEMBL31220207 0.91 BACE1 (0.58) BACE1MMEACECPA1ACE2
SCHEMBL29350817 0.90 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL30051590 0.90 ACE (0.64) BACE1MMEACECPA1ACE2
SCHEMBL29603617 0.89 ACE (0.60) BACE1MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US claimed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN claimed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP claimed
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
Send feedback