SCHEMBL30690096

SCHEMBL30690096

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.56
▸ FNTA P49354 3/20 0.45
▸ FNTB P49356 3/20 0.45
▸ CTRB1 P17538 1/20 0.44
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ PRCP P42785 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29858987 0.88 CTRB1 (0.46) FDFT1CTRB1F2PRCPKMT2A
SCHEMBL29566581 0.88 CTRB1 (0.46) FDFT1CTRB1ITGB1NPSR1F2
SCHEMBL29749447 0.87 CTRB1 (0.48) FDFT1CTRB1NPSR1F2TSHR
SCHEMBL29750784 0.86 ACE (0.45) FDFT1CTRB1F2MDM2PRCP
SCHEMBL30585183 0.86 CTRB1 (0.45) FDFT1CTRB1NPSR1F2PRCP
SCHEMBL29706288 0.86 CTRB1 (0.55) FDFT1CTRB1NPSR1F2TSHR
SCHEMBL29777648 0.86 ACE (0.49) FDFT1CTRB1F2MDM2PRCP
SCHEMBL29868206 0.85 CTRB1 (0.56) CTRB1ITGB1F2KMT2A
SCHEMBL6434028 0.85 CTRB1 (0.56) CTRB1ITGB1F2KMT2A
SCHEMBL30317756 0.84 CTRB1 (0.49) CTRB1NPSR1F2TSHRL3MBTL1

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
WO-2024235070-A1 PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF 杭州禾泰健宇生物科技有限公司 2024-11-21 — — WO disclosed
CN-117247427-B Peptide compound, composition and application thereof 杭州禾泰健宇生物科技有限公司 2024-08-23 — — CN disclosed
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