Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29832016

CCOC(=O)c1scnc1C.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
PKM P14618 1/20 0.51
CDC7 O00311 3/20 0.45
DBF4 Q9UBU7 3/20 0.45
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL31575 0.89 KDM4E (0.58) KDM4EPKMCDC7DBF4ALDH1A1
SCHEMBL1417518 0.79 KDM4E (0.49) KDM4EPKMHDAC4HDAC6HDAC3
SCHEMBL20267761 0.78 KDM4E (0.53) KDM4EPKMALDH1A1KMT2AMAPT
SCHEMBL27766706 0.78 KDM4E (0.50) KDM4EPKMCDC7DBF4TRPM8
SCHEMBL3333926 0.78 ALDH1A1 (0.50) KDM4EPKMCDC7DBF4ALDH1A1
SCHEMBL27634383 0.76 KDM4E (0.55) KDM4EPKMCDC7DBF4ALDH1A1
SCHEMBL30007138 0.76 KDM4E (0.50) KDM4EPKMALDH1A1CYP1A2NPC1
SCHEMBL29706037 0.74 CDC7 (0.47) KDM4EPKMCDC7DBF4TRPM8
SCHEMBL27656855 0.74 KDM4E (0.51) KDM4EPKMALDH1A1MAPTLMNA
SCHEMBL11151547 0.74 ALDH1A1 (0.54) KDM4EPKMCDC7DBF4ALDH1A1

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
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed