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Sugi Predict / Compounds / SCHEMBL29652676

SCHEMBL29652676

SCHEMBL29652676

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.61
▸ NPY2R P49146 8/20 0.60
▸ NPY4R P50391 8/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY1R P25929 6/20 0.60
▸ CXCR4 P61073 1/20 0.58
▸ KDM1A O60341 3/20 0.57
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56

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
SCHEMBL31222180 0.98 TFPI (0.61) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29598364 0.95 TFPI (0.59) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495701 0.92 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30658196 0.91 NPY2R (0.62) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31183026 0.90 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30199915 0.90 TFPI (0.59) TFPINPY2RNPY4RNPY5RNPY1R
Cathelicidin SCHEMBL29350781 0.89 NPY2R (0.65) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495683 0.89 TFPI (0.62) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182776 0.89 NPY2R (0.64) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30862310 0.88 TFPI (0.58) TFPINPY2RNPY4RNPY5RNPY1R

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
US-11839647-B2 Methods for inducing partial apoptosis using caspase polypeptides BELLICUM PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20230270831-A1 METHODS FOR INDUCING SELECTIVE APOPTOSIS BAYLOR COLLEGE OF MEDICINE 2023-08-31 — — US disclosed
US-20220152100-A1 METHODS FOR CONTROLLED ACTIVATION OR ELIMINATION OF THERAPEUTIC CELLS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-05-19 — — US disclosed
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