SCHEMBL14413883

SCHEMBL14413883

COc1ccc(NC(=O)N2CCCC(C)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ MAPT P10636 2/20 0.65
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ BLM P54132 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.59
▸ RAB9A P51151 2/20 0.58
▸ NAMPT P43490 1/20 0.58
▸ LMNA P02545 1/20 0.56
▸ CCR2 P41597 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ TAS1R2 Q8TE23 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL13873419 0.85 EPHX2 (1.00) EPHX2NAMPTPOLBCYP2C9CYP2C19
SCHEMBL8361624 0.83 SMN1; SMN2 (0.97) EPHX2SMN1; SMN2MAPTGAABLM
SCHEMBL4559572 0.83 SMN1; SMN2 (0.91) SMN1; SMN2MAPTGAABLMALDH1A1
SCHEMBL5195426 0.82 SMN1; SMN2 (1.00) EPHX2SMN1; SMN2MAPTGAABLM
SCHEMBL23288503 0.81 SMN1; SMN2 (0.67) SMN1; SMN2MAPTGAABLMALDH1A1
SCHEMBL28869329 0.80 MAPT (1.00) SMN1; SMN2MAPTBLMALDH1A1RAB9A
SCHEMBL14413881 0.80 GAA (0.67) EPHX2SMN1; SMN2MAPTGAAHPGD
SCHEMBL6716470 0.79 MAPT (0.65) SMN1; SMN2MAPTGAABLMALDH1A1
SCHEMBL20796549 0.78 MAPT (0.77) EPHX2SMN1; SMN2MAPTGAABLM
SCHEMBL1576169 0.77 SMN1; SMN2 (0.70) SMN1; SMN2MAPTGAABLMALDH1A1

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-2007106706-A1 CYCLIC UREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EFFECTIVE FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — WO disclosed
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