SCHEMBL30751007

SCHEMBL30751007

Cc1ccccc1C(=O)C(O)[C@H]1O[C@@H](O)[C@@](O)(C(=O)c2ccccc2C)[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30

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
Hydrochloric Acid SCHEMBL29878392 0.99 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTTPIK3CD
SCHEMBL5677693 0.90 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3HTTPIK3CD
SCHEMBL5677512 0.90 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3HTTPIK3CD
SCHEMBL5679573 0.90 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3HTTPIK3CD
SCHEMBL5707551 0.86 NPC1 (0.32) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL5707590 0.84 NPC1 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL5707623 0.84 NPC1 (0.31) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL5679849 0.78 LMNA (0.33) SLC6A2SLC6A4SLC6A3HTTNPC1
SCHEMBL3395341 0.78 HTT (0.33) SLC6A2SLC6A4SLC6A3HTTPIK3CD
SCHEMBL5707655 0.78 NPC1 (0.32) SLC6A2SLC6A4SLC6A3HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114672530-B Method for preparing beta-nicotinamide mononucleotide 江苏信佑生物有限公司 2024-01-23 CN disclosed