SCHEMBL30431697

SCHEMBL30431697

NCCCC[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.45
▸ NTMT1 Q9BV86 2/20 0.44
▸ ITGB3 P05106 3/20 0.43
▸ ITGA2B P08514 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ APLNR P35414 1/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL29666108 0.89 APLNR (0.47) ITGB3ITGA2BMEN1TP53CYP1A2
SCHEMBL30284972 0.86 OPRM1 (0.49) F2NTMT1MEN1TP53CYP1A2
SCHEMBL30558185 0.85 MEN1 (0.44) F2ITGB3ITGA2BMEN1TP53
SCHEMBL30558196 0.85 MEN1 (0.44) F2ITGB3ITGA2BMEN1TP53
SCHEMBL29689651 0.85 APLNR (0.44) F2NTMT1APLNRACE
SCHEMBL29816717 0.85 NTMT1 (0.50) F2NTMT1ITGB3ITGA2BAPLNR
SCHEMBL31622306 0.83 ITGB3 (0.46) F2NTMT1ITGB3ITGA2BAPLNR
SCHEMBL31122219 0.83 CALCRL (0.49) ACE
SCHEMBL29935747 0.83 ITGB3 (0.45) F2NTMT1ITGB3ITGA2BAPLNR
SCHEMBL29935607 0.83 ITGB3 (0.45) F2NTMT1ITGB3ITGA2BAPLNR

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
US-20240342111-A1 ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL UNIV SOUTH CAROLINA (US) 2024-10-17 — — US disclosed
US-20230201133-A1 Isomer-Specific Neuroprotective Effect of Natural Resveratrol UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-29 — — US disclosed
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