Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9012341

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.57
▸ F2 P00734 9/20 0.51
▸ CMA1 P23946 1/20 0.47
▸ PRSS1 P07477 4/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ TMPRSS11D O60235 1/20 0.44
▸ ELANE P08246 2/20 0.44
▸ CTSG P08311 1/20 0.44
▸ BDKRB2 P30411 1/20 0.44
▸ BDKRB1 P46663 1/20 0.44

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
SCHEMBL9012310 0.96 F2 (0.55) CHRM3F2CMA1PRSS1CHRM2
SCHEMBL9087480 0.86 TMPRSS11D (0.57) CHRM3F2PRSS1CHRM2CHRM4
SCHEMBL7589201 0.85 F2 (0.70) F2PRSS1
SCHEMBL9012230 0.84 F2 (0.49) F2CMA1PRSS1TMPRSS11DELANE
SCHEMBL9012243 0.84 F2 (0.49) F2CMA1PRSS1TMPRSS11DELANE
SCHEMBL7346760 0.83 F2 (0.54) F2CMA1PRSS1TMPRSS11D
SCHEMBL7346744 0.83 F2 (0.54) F2PRSS1TMPRSS11D
SCHEMBL9073832 0.83 F2 (0.54) F2CMA1PRSS1TMPRSS11D
SCHEMBL9086574 0.82 F2 (0.51) F2CMA1TMPRSS11D
SCHEMBL9086586 0.81 F2 (0.51) F2CMA1PRSS1

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
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP disclosed