SCHEMBL5793386

SCHEMBL5793386

CCC[C@@H](NC(=O)c1cc(OCCC(F)(F)F)c2ccccc2n1)Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.40
HDAC3 O15379 2/20 0.39
APP P05067 2/20 0.39
ACHE P22303 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
EPHX2 P34913 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL447746 1.00 P2RY12 (0.40) P2RY12HDAC3APPACHEHDAC4
SCHEMBL445438 0.86 P2RY12 (0.51) P2RY12
SCHEMBL4033149 0.85 P2RY12 (0.39) P2RY12
SCHEMBL447747 0.85 HDAC3 (0.40) P2RY12HDAC3APPACHEHDAC4
SCHEMBL446790 0.84 P2RY12 (0.41) P2RY12HDAC3APPACHEHDAC4
SCHEMBL446789 0.84 P2RY12 (0.41) P2RY12HDAC3APPACHEHDAC4
SCHEMBL445820 0.81 MAPT (0.46) P2RY12HDAC3APPACHEHDAC4
SCHEMBL447748 0.79 HDAC6 (0.42) P2RY12HDAC3APPACHEHDAC4
SCHEMBL4255470 0.78 P2RY12 (0.39) P2RY12HDAC3HDAC4HDAC1HDAC7
SCHEMBL4247839 0.77 P2RY12 (0.40) P2RY12EPHX2ADAM17

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-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed