SCHEMBL7399514

SCHEMBL7399514

[O]C(=O)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.41
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
PTGS1 P23219 1/20 0.40
FABP4 P15090 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 2/20 0.38
NFKB1 P19838 1/20 0.38
CTSS P25774 1/20 0.38
KAT6A Q92794 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23041398 0.86 LMNA (0.48) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL1195140 0.84 TAS2R14 (0.51) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL3108190 0.82 LMNA (0.46) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL634076 0.82 PARP1 (0.47) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL28484672 0.82 TAS2R14 (0.50) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL2001643 0.82 LMNA (0.46) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL2189933 0.82 LMNA (0.46) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL30554614 0.82 PARP1 (0.47) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL2195147 0.81 LMNA (0.62) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL20561313 0.81 LMNA (0.44) LMNAGAATAS2R14KCNK3KCNK9

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-1212295-A1 SUBSTITUTED $g(a)-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-06-12 EP disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 WO disclosed