Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4188539

C(=C1CCNCC1)c1cccc(OCc2ccccc2)c1.CC(C)(C)OC(=O)N1CCC(=Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
PRMT5 O14744 3/20 0.41
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
GHSR Q92847 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL1011154 0.90 KDM4E (0.48) YAP1KDM4EALDH1A1PKMMMP13
Trifluoroacetic Acid SCHEMBL1011579 0.88 KDM4E (0.54) KDM4EALDH1A1PKMMMP13ADAMTS5
SCHEMBL13280881 0.86 PRMT5 (0.49) YAP1PRMT5MAOAMAOBPPARG
Trifluoroacetic Acid SCHEMBL1010326 0.81 FAAH (0.49)
SCHEMBL15441571 0.80 YAP1 (0.52) YAP1PRMT5MAOAMAOBPPARG
Tert-Butyl Formate SCHEMBL27785453 0.79 MAOB (0.52) KDM4EALDH1A1PKMMMP13ADAMTS5
Hydrochloric Acid SCHEMBL4184397 0.79 FAAH (0.47) ADAMTS5GHSR
SCHEMBL1011580 0.78 KDM4E (0.48) KDM4EALDH1A1PKMMMP13ADAMTS5
SCHEMBL1011417 0.77 ABCB1 (0.44) KDM4EALDH1A1ADAMTS5GHSRMEN1
SCHEMBL6396022 0.76 ABCB1 (0.48) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed