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Sugi Predict / Compounds / SCHEMBL30435760

SCHEMBL30435760

SCHEMBL30435760

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NPY5R Q15761 7/20 0.44
▸ NPY4R P50391 7/20 0.44
▸ NPY1R P25929 6/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ MUS81 Q96NY9 1/20 0.44
▸ VIPR1 P32241 1/20 0.44
▸ NPY2R P49146 4/20 0.44

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
SCHEMBL31688310 0.91 TFPI (0.57) TFPIRXFP1ECE1GLP1RMUS81
SCHEMBL30880897 0.91 TFPI (0.49) TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL30974395 0.89 TFPI (0.52) TFPIRXFP1ECE1GLP1RMUS81
SCHEMBL29814926 0.88 TFPI (0.50) TFPIECE1GLP1RMUS81VIPR1
SCHEMBL29679920 0.88 TFPI (0.47) TFPIRXFP1ECE1GLP1RMUS81
SCHEMBL30595713 0.88 TFPI (0.48) TFPINPY5RNPY4RNPY1RNPY2R
SCHEMBL29430210 0.87 TFPI (0.50) TFPIECE1GLP1RMUS81VIPR1
SCHEMBL29625167 0.87 NPY4R (0.49) TFPINPY5RNPY4RNPY1RNPY2R
SCHEMBL31462927 0.87 TFPI (0.48) TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL29837349 0.86 TFPI (0.46) TFPINPY5RNPY4RNPY1RVIPR1

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
US-20230167470-A1 METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-06-01 — — US disclosed
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