SCHEMBL9550466

SCHEMBL9550466

CO/C=C(/C(=O)OC)c1cccc2cc(C(F)(F)F)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AKR1C3 P42330 3/20 0.33
ADORA2A P29274 2/20 0.33

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
SCHEMBL9550392 0.89 ERAP1 (0.35) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL9550471 0.89 HSD17B10 (0.32) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL9550411 0.81 MAPT (0.38) MAPTKDM4EALDH1A1HSD17B10CA12
SCHEMBL9550484 0.79 MAOA (0.47) MAPTALDH1A1HPGDHSD17B10LMNA
SCHEMBL9550429 0.78 ERAP1 (0.39) MAPTKDM4EAKR1C3LMNAERAP1
SCHEMBL9550364 0.77 ERAP1 (0.32) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL9550507 0.77 ERAP1 (0.47) KDM4EALDH1A1HPGDLMNAERAP1
SCHEMBL9550450 0.77 MAPT (0.36) MAPTKDM4EHSD17B10CA12CA1
SCHEMBL9550421 0.76 ERAP1 (0.41) ALDH1A1HPGDADORA2ALMNAERAP1
SCHEMBL9368976 0.76 NTRK1 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed