SCHEMBL1869348

SCHEMBL1869348

N[C@@H](Cc1cnc(S)[nH]1)C(=O)O.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
CYP3A4 P08684 2/20 0.51
SLC1A3 P43003 1/20 0.43
HSD17B10 Q99714 2/20 0.41
PKM P14618 2/20 0.40
ALPI P09923 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
GRIA2 P42262 4/20 0.38
GRIA1 P42261 3/20 0.38
GRIA4 P48058 3/20 0.38
GRIA3 P42263 2/20 0.38
GRIK5 Q16478 1/20 0.37
USP2 O75604 2/20 0.37
RGS12 O14924 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL1065163 0.98 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL5284026 0.98 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL14323788 0.98 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL1865520 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL1868482 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL1865514 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL1866100 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
Ammonia Solution, Strong SCHEMBL1864550 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL1868579 0.97 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10PKM
SCHEMBL13095827 0.80 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3HSD17B10PKM

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-7935359-B2 Decoloring skin blemishes; nontoxic, nonirritating, nonallergenic LVMH RECHERCHE (FR) 2011-05-03 US claimed
US-20080161377-A1 Use of L-2-thiohistidine or one of its derivatives as a depigmenting agent in cosmetics LVMH RECHERCHE (FR) 2008-07-03 US claimed