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Sugi Predict / Compounds / SCHEMBL30892650

SCHEMBL30892650

SCHEMBL30892650

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)NCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.64
▸ NMUR1 Q9HB89 5/20 0.64
▸ TFPI P10646 4/20 0.58
▸ KDM1A O60341 1/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ NPY4R P50391 6/20 0.58
▸ NPY5R Q15761 6/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ CXCR4 P61073 2/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 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
SCHEMBL30892654 0.98 NMUR2 (0.64) NMUR2NMUR1TFPIKDM1ANPY2R
SCHEMBL30437301 0.90 NMUR2 (0.66) NMUR2NMUR1TFPIKDM1ACXCR4
SCHEMBL30302482 0.89 NMUR2 (0.62) NMUR2NMUR1TFPIKDM1ANPY2R
SCHEMBL30495720 0.89 NMUR2 (0.58) NMUR2NMUR1TFPIKDM1ACXCR4
SCHEMBL30892660 0.88 EPHA2 (0.58) NMUR2NMUR1TFPICXCR4RAMP3
SCHEMBL30567748 0.88 NMUR2 (0.65) NMUR2NMUR1TFPIKDM1ANPY2R
SCHEMBL30605471 0.87 NMUR2 (0.63) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30892648 0.87 NMUR2 (0.62) NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL31182847 0.87 TFPI (0.62) NMUR2NMUR1TFPIKDM1ANPY2R
SCHEMBL30892655 0.87 NMUR2 (0.63) NMUR2NMUR1TFPINPY2RNPY4R

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
CN-118047849-A Silkworm silk fibroin gene recombinant engineering bacterium and method for preparing recombinant silkworm silk fibroin by using same 杭州基智生物科技有限公司 2024-05-17 — — CN claimed
CN-118047849-B Silkworm silk fibroin gene recombinant engineering bacterium and method for preparing recombinant silkworm silk fibroin by using same 杭州基智生物科技有限公司 2024-08-13 — — CN disclosed
CN-118047849-A Silkworm silk fibroin gene recombinant engineering bacterium and method for preparing recombinant silkworm silk fibroin by using same 杭州基智生物科技有限公司 2024-05-17 — — CN disclosed
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