SCHEMBL9360416

SCHEMBL9360416

CCN(CCCCS(=O)(=O)O)c1cccc(C)c1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
GFER P55789 5/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CNR2 P34972 1/20 0.44
TSHR P16473 3/20 0.44

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
SCHEMBL1592182 0.99 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL29540381 0.97 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL5525904 0.96 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
Water SCHEMBL20853623 0.95 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL29387582 0.94 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL186733 0.94 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL30848155 0.93 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL7532908 0.93 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL5523913 0.93 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL5525910 0.92 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53

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-114306248-B Chitosan engelhardtia roxburghii total flavone nano-particle and preparation method thereof 广西壮族自治区中医药研究院 2023-06-16 CN disclosed
CN-114432267-A Application of chitosan engelhardtia total flavone nano-particle in preparation of medicine or health food 广西壮族自治区中医药研究院 2022-05-06 CN disclosed
CN-114306248-A Chitosan engelhardtia total flavone nanoparticles and preparation method thereof 广西壮族自治区中医药研究院 2022-04-12 CN disclosed
EP-0383922-B1 METHOD FOR MEASURING DEGREE OF FRESHNESS AND MEASURING KIT FOR THE METHOD DAIICHI PURE CHEMICALS CO LTD (JP) 1994-11-09 EP disclosed
EP-0383922-A1 METHOD FOR MEASURING DEGREE OF FRESHNESS AND MEASURING KIT FOR THE METHOD DAIICHI PURE CHEMICALS CO., LTD. (JP) 1990-08-29 EP disclosed