Sugi Predict

Sugi Predict / Compounds / SCHEMBL3863996

SCHEMBL3863996

SCHEMBL3863996

CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.56
▸ NMUR1 Q9HB89 6/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ EPHA2 P29317 3/20 0.53
▸ APLNR P35414 1/20 0.52
▸ KDM1A O60341 1/20 0.52
▸ KEAP1 Q14145 1/20 0.51

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
SCHEMBL3864010 1.00 NMUR2 (0.56) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL30512842 0.87 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL30168766 0.87 NMUR2 (0.68) NMUR2NMUR1EPHA2KDM1A
SCHEMBL30689268 0.86 OPRK1 (0.58) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31588354 0.86 OPRM1 (0.61) NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL18176610 0.86 OPRK1 (0.63) NMUR2NMUR1OPRM1OPRK1
SCHEMBL30689267 0.86 OPRK1 (0.59) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31384592 0.85 NPY4R (0.60) OPRM1OPRK1
SCHEMBL31384595 0.85 NPY4R (0.60) OPRM1OPRK1
SCHEMBL5312908 0.85 KDM1A (0.51) EPHA2KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017056-A1 SKIN IMMUNIZATION USING LT-STA FUSION PROTEINS IOMAI CORPORATION (US) 2009-01-15 — — US disclosed
EP-1773385-A4 SKIN IMMUNIZATION USING LT-STa FUSION PROTEINS IOMAI CORP (US) 2009-01-14 — — EP disclosed
EP-1773385-A2 SKIN IMMUNIZATION USING LT-STa FUSION PROTEINS Iomai Corporation (US) 2007-04-18 — — EP disclosed
WO-2006007366-A2 SKIN IMMUNIZATION USING LT-STa FUSION PROTEINS IOMAI CORPORATION (US) 2006-01-19 — — WO disclosed
Send feedback