SCHEMBL29186151

SCHEMBL29186151

COC(=O)C(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.63
TACR1 P25103 3/20 0.60
PPARG P37231 2/20 0.59
KLK7 P49862 1/20 0.58
ACE P12821 1/20 0.56
CTSL P07711 2/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KLK5 Q9Y337 1/20 0.52
MAPT P10636 2/20 0.51
SSTR3 P32745 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29186149 1.00 SCN9A (0.63) SCN9ATACR1PPARGKLK7ACE
SCHEMBL22109027 0.91 PPARG (0.62) TACR1PPARGMEN1KMT2AMAPT
SCHEMBL22108941 0.91 PPARG (0.62) TACR1PPARGMEN1KMT2AMAPT
SCHEMBL27427419 0.89 SCN9A (0.58) SCN9ATACR1PPARGKLK7ACE
SCHEMBL30961940 0.89 SCN9A (0.58) SCN9ATACR1PPARGKLK7ACE
SCHEMBL1177004 0.86 SCN9A (0.66) SCN9ATACR1KLK7ACECTSL
SCHEMBL31407830 0.85 MEN1 (0.73) SCN9ATACR1PPARGKLK7ACE
SCHEMBL31725783 0.84 KLK5 (0.52) SCN9ATACR1PPARGKLK7ACE
SCHEMBL16645245 0.84 MAPT (0.61) SCN9ATACR1PPARGMEN1KMT2A
SCHEMBL17938406 0.84 MAPT (0.61) SCN9ATACR1PPARGMEN1KMT2A

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
CN-117843672-B Preparation method of L-6-hydroxytryptophan derivative and intermediate 内蒙古大学 2024-05-31 CN disclosed
CN-117843672-A Preparation method of L-6-hydroxytryptophan derivative and intermediate 内蒙古大学 2024-04-09 CN disclosed