SCHEMBL10552201

SCHEMBL10552201

CCC(N)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
PPARA Q07869 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FAAH O00519 1/20 0.44
SLC6A9 P48067 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
IDO1 P14902 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
SCHEMBL9325430 0.88 PPARG (0.38) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL24854746 0.81 PPARG (0.52) PPARGPPARAL3MBTL1KDM4EFAAH
SCHEMBL8886550 0.81 PPARG (0.49) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL11291464 0.81 PPARG (0.49) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL5405838 0.80 SLC6A4 (0.50) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL7772345 0.78 PPARG (0.50) PPARGPPARAL3MBTL1KDM4EFAAH
SCHEMBL9325097 0.78 SLC6A4 (0.49) PPARGPPARAMAOBIDO1
SCHEMBL178468 0.78 ALDH1A1 (0.53) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL8889857 0.77 PPARG (0.49) PPARGPPARAL3MBTL1KDM4EFAAH
Hydrochloric Acid SCHEMBL7109951 0.77 L3MBTL1 (0.51) HTR2AHTR2CHTR2BL3MBTL1KDM4E

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-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed