SCHEMBL9083120

SCHEMBL9083120

CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.60
▸ PLG P00747 5/20 0.52
▸ KLK1 P06870 5/20 0.52
▸ KLK6 Q92876 5/20 0.52
▸ P2RX1 P51575 4/20 0.52
▸ P2RX4 Q99571 3/20 0.52
▸ P2RX7 Q99572 3/20 0.52
▸ TMPRSS4 Q9NRS4 2/20 0.52
▸ KLKB1 P03952 6/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9327576 0.85 P2RX1 (0.59) NR1H4PLGKLK1KLK6P2RX1
SCHEMBL9081411 0.82 PLG (0.58) NR1H4PLGKLK1KLK6P2RX1
SCHEMBL4928355 0.80 P2RX1 (0.76) P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL9082045 0.80 P2RX1 (0.54) NR1H4P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL23303863 0.80 P2RX1 (0.59) NR1H4P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL25348875 0.80 P2RX1 (0.63) NR1H4PLGKLK1KLK6P2RX1
SCHEMBL28033803 0.79 ALOX15 (0.64) NR1H4PLGKLK1KLK6KLKB1
SCHEMBL23303570 0.78 P2RX1 (0.60) P2RX1P2RX4P2RX7TMPRSS4TRPV1
SCHEMBL25348263 0.78 P2RX1 (0.62) P2RX1P2RX4P2RX7TMPRSS4RAB9A
SCHEMBL4455829 0.77 P2RX1 (0.46) NR1H4P2RX1P2RX4P2RX7TMPRSS4

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
WO-1996005170-A1 4-TRIFLUOROMETHYLBENZAMIDES AND THEIR USE AS PESTICIDES IN PLANT AND MATERIALS PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
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