SCHEMBL11117749

SCHEMBL11117749

c1ccc(COCCc2ccc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LTA4H P09960 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL11216376 0.82 MAOA (0.36)
SCHEMBL7475165 0.77 TAAR1 (0.52) ALDH1A1
SCHEMBL1066576 0.76 TSHR (0.67) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL30693096 0.76 MAOA (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL1409425 0.74 TSHR (0.64) HRH4HRH3TSHRTDP1L3MBTL1
Water SCHEMBL28780406 0.74 TSHR (0.64) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL11118375 0.73 LTA4H (0.54) HRH3L3MBTL1LTA4H
SCHEMBL1991359 0.73 TSHR (0.78) HRH4HRH3TSHRTDP1L3MBTL1
SCHEMBL4350635 0.73 HRH3 (0.50) HRH3
SCHEMBL7714735 0.73 HRH3 (0.55) HRH3

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-0123218-A2 Azolylethyl-benzyl-ether derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1984-10-31 EP claimed
EP-0123218-A2 Azolylethyl-benzyl-ether derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1984-10-31 EP disclosed