SCHEMBL7444567

SCHEMBL7444567

CCCOCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5358230 0.85 ALDH1A1 (0.49) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL5935764 0.85 ALDH1A1 (0.49) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL8057921 0.83
SCHEMBL6733610 0.83 TAAR1 (0.50) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL10689465 0.82 LMNA (0.46) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL12064579 0.82 TAAR1 (0.48) ALDH1A1TSHRMAPTHTTTAAR1
SCHEMBL19100212 0.81 LMNA (0.45) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL8055385 0.80 ALDH1A1 (0.43) MAPK1ALDH1A1TSHRGAAKDM4E
SCHEMBL8905908 0.80 SLC1A3 (0.42) MAPK1DPP4ALDH1A1TSHRGAA
SCHEMBL15700931 0.79 SMN1; SMN2 (0.42) MAPK1DPP4ALDH1A1TSHRGAA

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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed