SCHEMBL30843962

SCHEMBL30843962

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.52
▸ ECE1 P42892 8/20 0.52
▸ GHSR Q92847 3/20 0.51
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP8 P22894 2/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.48

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
SCHEMBL29849002 0.94 ACE (0.52) ACEECE1GHSRMAGI3MMP2
SCHEMBL17912320 0.93 ACE (0.54) ACEECE1GHSRERAP2
SCHEMBL17912322 0.93 ACE (0.54) ACEECE1GHSRERAP2
Hydrochloric Acid SCHEMBL11220500 0.92 ACE (0.56) ACEECE1
SCHEMBL31510666 0.92 ECE1 (0.54) ACEECE1MMP2MMP9MMP8
SCHEMBL31510664 0.91 GHSR (0.51) ACEECE1GHSRMAGI3ERAP2
SCHEMBL31259940 0.90 ACE (0.57) ACEECE1
SCHEMBL29577528 0.90 ACE (0.57) ACEECE1
SCHEMBL31259938 0.90 ACE (0.57) ACEECE1
SCHEMBL29973876 0.90 ACE (0.57) ACEECE1

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
WO-2024092332-A1 PHARMACEUTICAL, DERMATOLOGICAL OR COSMETIC COMPOUNDS AND COMPOSITIONS FOR REDUCING MELANIN SYNTHESIS, STIMULATING TYPE I COLLAGEN PRODUCTION, SKIN DEPIGMENTATION AND/OR PROMOTING A SKIN ANTI-AGING EFFECT IN AN INDIVIDUAL OR ANIMAL, USES AND METHODS CHEMYUNION LTDA (BR) 2024-05-10 — — WO claimed
WO-2024092332-A1 PHARMACEUTICAL, DERMATOLOGICAL OR COSMETIC COMPOUNDS AND COMPOSITIONS FOR REDUCING MELANIN SYNTHESIS, STIMULATING TYPE I COLLAGEN PRODUCTION, SKIN DEPIGMENTATION AND/OR PROMOTING A SKIN ANTI-AGING EFFECT IN AN INDIVIDUAL OR ANIMAL, USES AND METHODS CHEMYUNION LTDA (BR) 2024-05-10 — — WO disclosed
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