SCHEMBL6699059

SCHEMBL6699059

CC(C)(C)NC(=O)Nc1cccc(F)c1O.N#Cc1ccc(NC(=O)Nc2cccc(F)c2O)cc1.O=C(NCC1CCCCC1)Nc1cccc(F)c1O.O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1O.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1O.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1O.O=C(Nc1ccc(Cl)cc1)Nc1cccc(F)c1O.O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(F)c1O.O=C(Nc1cccc(F)c1O)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
P2RY1 P47900 13/20 0.39
EPHX1 P07099 3/20 0.38
PLA2G2A P14555 1/20 0.36
FAAH O00519 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
SCHEMBL6250102 0.87 EPHX2 (0.44) EPHX2EPHX1FAAH
SCHEMBL6685856 0.82 P2RY1 (0.36) EPHX2P2RY1PLA2G2A
SCHEMBL6672200 0.77 MTOR (0.46) EPHX2EPHX1
SCHEMBL6249425 0.77 EPHX2 (0.54) EPHX2EPHX1FAAH
SCHEMBL6251451 0.76 EPHX2 (0.49) EPHX2P2RY1EPHX1
SCHEMBL6251215 0.74 EPHX2 (0.51) EPHX2EPHX1FAAH
SCHEMBL6668636 0.72 MTOR (0.48) EPHX2EPHX1
SCHEMBL6251568 0.71 KMT2A (0.43)
SCHEMBL6685135 0.71 P2RY1 (0.36) EPHX2P2RY1EPHX1PLA2G2A
SCHEMBL6684479 0.70 EPHX2 (0.39) EPHX2P2RY1EPHX1PLA2G2A

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
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed