SCHEMBL7976000

SCHEMBL7976000

CC1(C)O[C@H]([C@H](O)COCc2ccc(OCc3ccccc3)cc2)[C@@H]([C@H](O)COCc2ccc(OCc3ccccc3)cc2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAOB P27338 4/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
LTA4H P09960 2/20 0.42
EPHX2 P34913 1/20 0.42
BCHE P06276 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 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
SCHEMBL7451566 0.91 HTT (0.58) HTTKMT2A
SCHEMBL7771507 0.89 BACE1 (0.44) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL7447542 0.86 HTT (0.45) HTTMAOBHIF1AKMT2A
SCHEMBL7450571 0.86 HTT (0.53) HTTKMT2A
SCHEMBL7451582 0.84 HTT (0.41) HTTMAOBALOX5KMT2AFFAR1
SCHEMBL7448869 0.82 HTT (0.50) HTTKMT2A
SCHEMBL7513004 0.81 KMT2A (0.47) HTTLMNAPRMT5WDR77GAA
SCHEMBL7989793 0.81 HTT (0.44) HTTGAAKMT2A
SCHEMBL10564679 0.81 HTT (0.54) HTTKMT2A
SCHEMBL13595480 0.81 HTT (0.54) HTTKMT2A

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
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed