SCHEMBL17850602

SCHEMBL17850602

CCCCCCCNC(=O)CNC(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.75
CASP2 P42575 1/20 0.58
NAAA Q02083 1/20 0.55
FAAH O00519 2/20 0.54
MGLL Q99685 1/20 0.48
EPHX2 P34913 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL17850647 0.92 EPHX1 (0.62) EPHX1CASP2NAAAFAAHMEN1
SCHEMBL13387508 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL28556990 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL10118264 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL717504 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL3910901 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL1616893 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL13387440 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL22693961 0.86 EPHX1 (1.00) EPHX1CASP2MGLL
SCHEMBL27052567 0.86 EPHX1 (1.00) EPHX1CASP2MGLL

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-2714036-B1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS INC (US) 2016-06-22 EP disclosed