Sugi Predict

Sugi Predict / Compounds / SCHEMBL29649232

SCHEMBL29649232

SCHEMBL29649232

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.66
▸ VIPR1 P32241 5/20 0.64
▸ VIPR2 P41587 7/20 0.61
▸ GLP1R P43220 1/20 0.58
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58
▸ KISS1R Q969F8 3/20 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
SCHEMBL29558454 0.93 TFPI (0.69) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29453341 0.93 VIPR1 (0.72) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29903297 0.93 TFPI (0.71) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL30576938 0.93 TFPI (0.68) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL30320569 0.92 BACE1 (0.58) TFPIVIPR1VIPR2KISS1R
SCHEMBL30436216 0.91 TFPI (0.79) TFPIVIPR1VIPR2GLP1R
SCHEMBL30974031 0.91 TFPI (0.60) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL30974297 0.91 TFPI (0.62) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL31676913 0.91 VIPR1 (0.63) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL31676914 0.91 VIPR1 (0.63) TFPIVIPR1VIPR2GLP1RGCGR

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
CN-112391327-B Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof 中国农业科学院烟草研究所 2022-08-05 — — CN disclosed
CN-112391371-B Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-20 — — CN disclosed
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