Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7682402

COc1cc(-c2nc(NC(=O)c3cc4cc(C)ccc4n3CC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1C.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.36
F10 P00742 1/20 0.34
MDM2 Q00987 2/20 0.33
ECE1 P42892 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CCKAR P32238 1/20 0.32
CHRM4 P08173 1/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL7686588 0.96 F10 (0.36) F10MDM2ECE1KDM4EALDH1A1
SCHEMBL6702793 0.90 MAPT (0.37) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL6703652 0.89 MEN1 (0.38) F10MDM2KDM4EALDH1A1HPGD
SCHEMBL7684403 0.89 F10 (0.35) F10MDM2KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL7682405 0.87 ATM (0.35) ATMECE1KDM4EALDH1A1HPGD
SCHEMBL7679774 0.85 SAE1 (0.35) F10MEN1KMT2ACCKARCHRM4
SCHEMBL6702438 0.85 MAPT (0.38) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL6699872 0.84 PTGDR2 (0.36) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL6703723 0.84 F10 (0.36) F10MDM2ALDH1A1RXFP1MEN1
SCHEMBL6704665 0.84 CHRM4 (0.33) KDM4EALDH1A1HPGDNPSR1KMT2A

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-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed