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Sugi Predict / Compounds / SCHEMBL29742983

SCHEMBL29742983

SCHEMBL29742983

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.68
▸ BACE2 Q9Y5Z0 4/20 0.68
▸ CTSD P07339 1/20 0.61
▸ KISS1R Q969F8 2/20 0.58

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
SCHEMBL29572333 0.95 BACE1 (0.62) BACE1BACE2CTSDKISS1R
SCHEMBL29867633 0.90 BACE1 (0.57) BACE1BACE2CTSDKISS1R
SCHEMBL31536321 0.88 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL29416155 0.88 BACE1 (0.68) BACE1BACE2CTSDKISS1R
SCHEMBL30512564 0.88 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL31182908 0.88 VIPR1 (0.65) BACE1BACE2KISS1R
SCHEMBL31696338 0.88 BACE1 (0.67) BACE1BACE2CTSDKISS1R
SCHEMBL30504288 0.87 BACE1 (0.58) BACE1CTSDKISS1R
SCHEMBL29450265 0.87 BACE1 (0.58) BACE1CTSDKISS1R
SCHEMBL29960149 0.87 KISS1R (0.55) BACE1BACE2CTSDKISS1R

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
US-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
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