Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7758264

NCC(=O)NCC(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCC3 O15438 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
RARG P13631 1/20 0.47
CNR1 P21554 1/20 0.47
OPRK1 P41145 1/20 0.47
NR1H2 P55055 1/20 0.47
PPARA Q07869 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL5538472 0.93 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL715023 0.91 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL26287992 0.90 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL25310405 0.89 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8181153 0.89 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL8438508 0.88 HRH4 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL22830136 0.85 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL2579475 0.85 CYP1A2 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL22830205 0.81 ALDH1A1 (0.54) KMT2AL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL21386044 0.80 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767800-B1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2001-03-28 EP disclosed
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
US-5571792-A Histidine and homohistidine derivatives as inhibitors of protein farnesyltransferase WARNER-LAMBERT COMPANY (US) 1996-11-05 US disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
US-4460503-A OLIGO AND POLYPEPTIDES INSTITUT PASTEUR (FR) 1984-07-17 US disclosed