SCHEMBL30417895

SCHEMBL30417895

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.48
EPHX2 P34913 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 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
SCHEMBL30676972 0.94 CPB2 (0.48) CPB2EPHX2FNTAFNTBPGGT1B
SCHEMBL31253369 0.91 CPB2 (0.46) CPB2EPHX2MMP1MMP2MMP3
SCHEMBL30528168 0.87 NPY4R (0.45) CPB2MMP1MMP2MMP3
SCHEMBL29641218 0.87 CPB2 (0.59) CPB2
SCHEMBL29568687 0.87 NMT1 (0.50) CPB2
Hydrochloric Acid SCHEMBL31021035 0.86 NPY4R (0.44) CPB2MMP1MMP2MMP3
SCHEMBL31174187 0.83 NPY4R (0.49) FNTAFNTBPGGT1B
SCHEMBL7607432 0.83 NPY4R (0.49) FNTAFNTBPGGT1B
SCHEMBL288598 0.83 NPY4R (0.49) FNTAFNTBPGGT1B
SCHEMBL288599 0.83 NPY4R (0.49) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116159135-B Cell penetrating riboflavin complex and application thereof in preparation of photodynamic therapy medicine 深圳先进技术研究院 2026-02-17 CN disclosed
WO-2023092708-A1 CELL-PENETRATING RIBOFLAVIN COMPLEX AND APPLICATION THEREOF IN PREPARATION OF PHOTODYNAMIC THERAPY DRUG 深圳先进技术研究院 2023-06-01 WO disclosed
WO-2023092708-A1 CELL-PENETRATING RIBOFLAVIN COMPLEX AND APPLICATION THEREOF IN PREPARATION OF PHOTODYNAMIC THERAPY DRUG 深圳先进技术研究院 2023-06-01 WO disclosed
CN-116159135-A Cell penetrating riboflavin complex and application thereof in preparation of photodynamic therapy medicine 深圳先进技术研究院 2023-05-26 CN disclosed
CN-116159135-A Cell penetrating riboflavin complex and application thereof in preparation of photodynamic therapy medicine 深圳先进技术研究院 2023-05-26 CN disclosed