SCHEMBL2372811

SCHEMBL2372811

CCOc1ccc(N)cc1OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GAA P10253 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 6/20 0.54
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 3/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL112468 0.85 MAPT (0.78) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL31095359 0.85 MAPT (0.78) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL7325807 0.85 ALDH1A1 (0.50) MAPTGAAKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL10607534 0.83 ALDH1A1 (0.53) MAPTGAAKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL4945295 0.83 MAPT (0.81) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL1159205 0.79 GAA (0.96) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL1010304 0.79 KDM4E (0.50) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL10238812 0.78 GAA (0.58) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL3317051 0.77 GAA (0.57) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL27547295 0.77 MAPT (0.67) MAPTGAAKDM4EALDH1A1TSHR

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed