SCHEMBL29577384

SCHEMBL29577384

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C(=O)C=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.70
▸ CTSL P07711 8/20 0.61
▸ CTSB P07858 6/20 0.61
▸ CTSK P43235 5/20 0.60
▸ HTRA1 Q92743 1/20 0.59
▸ PSMB1 P20618 1/20 0.57
▸ PSMB5 P28074 1/20 0.57
▸ PSMB2 P49721 1/20 0.57
▸ CTSS P25774 2/20 0.57

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
SCHEMBL29372797 0.89 CAPN1 (0.66) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL24549655 0.89 CAPN1 (0.66) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL14513399 0.89 CAPN1 (0.66) CAPN1CTSLCTSBCTSKHTRA1
Water SCHEMBL29578866 0.88 CAPN1 (0.65) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL21219280 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL21219351 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL21219352 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL9831181 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL29483597 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL4320484 0.87 CAPN1 (0.74) CAPN1CTSLCTSBCTSKHTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022072504-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO, INC. (US) 2022-04-07 — — WO disclosed
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