SCHEMBL10271600

SCHEMBL10271600

Bc1c(C)c([C@H](OC(C)(C)C)C(=O)OCC)c(OS(=O)(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PIN1 Q13526 2/20 0.30
HSD11B1 P28845 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CXCR2 P25025 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 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
SCHEMBL15099627 0.91 HTT (0.37) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271806 0.89 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699546 0.89 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15099754 0.89 HTT (0.38) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15165315 0.88 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699726 0.88 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271807 0.87 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271719 0.85 HTT (0.38) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15099676 0.83 MAPT (0.34) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15099642 0.83 HTT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM

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
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed