SCHEMBL6963700

SCHEMBL6963700

[O]C(=O)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PSMB5 P28074 1/20 0.44
GRIN2B Q13224 2/20 0.43
GRIN1 Q05586 1/20 0.43
CXCL8 P10145 2/20 0.42
GAA P10253 1/20 0.41
EPHX2 P34913 3/20 0.41
PPARG P37231 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NTRK1 P04629 2/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL29782307 0.86 CXCL8 (0.58) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL534254 0.86 CXCL8 (0.58) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2530811 0.84 VNN1 (0.46) VNN1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL2530814 0.84 CXCL8 (0.57) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL10565876 0.84 GRIN2B (0.48) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL6195827 0.84 L3MBTL1 (0.57) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8042960 0.81 VNN1 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13687472 0.81 VNN1 (0.50) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27624240 0.81 VNN1 (0.46) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL13329834 0.80 VNN1 (0.49) VNN1HDAC3HDAC1HDAC2HDAC6

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed