SCHEMBL27769249

SCHEMBL27769249

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.66
GAA P10253 1/20 0.65
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 2/20 0.56
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL3937303 0.82 EPHX2 (0.77) EPHX2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3936624 0.80 EPHX2 (1.00) EPHX2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3943499 0.78 EPHX2 (0.80) EPHX2MAPTSMN1; SMN2LMNANPC1
SCHEMBL10986478 0.77 LMNA (0.55) GAAMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL4083187 0.76 SMN1; SMN2 (0.58) EPHX2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5594972 0.76 DHODH (0.75) GAAMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL30458017 0.76 LMNA (0.62) GAAKDM4ELMNAALDH1A1KMT2A
SCHEMBL27786077 0.75 EPHX2 (0.57) EPHX2GAAMAPTSMN1; SMN2NPC1
SCHEMBL3944093 0.75 EPHX2 (0.77) EPHX2GAAMAPTSMN1; SMN2KDM4E
SCHEMBL10992690 0.75 SMN1; SMN2 (0.58) GAAMAPTSMN1; SMN2LMNAALDH1A1

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
CN-101495119-A Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-07-29 CN claimed