SCHEMBL8575701

SCHEMBL8575701

CC(C)OC(=O)CCc1ccc(N2CC(=O)NC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TSHR P16473 3/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7395303 0.86 EPHX2 (0.42) CYP4F2CYP4A11CCNA2CDK2CCNA1
SCHEMBL8414048 0.80 LMNA (0.42) FAAHCYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL8575697 0.79 NOTUM (0.44) FAAHALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7275286 0.73 ITGB3 (0.51) CYP4F2CYP4A11
SCHEMBL7275580 0.72 ITGB3 (0.45) CYP4F2CYP4A11ALDH1A1LMNATDP1
Hydrochloric Acid SCHEMBL7386679 0.72 ITGB3 (0.50) CYP4F2CYP4A11
SCHEMBL19024861 0.72 L3MBTL1 (0.59) CYP4F2CYP4A11ALDH1A1HSD17B10KDM4E
SCHEMBL4420191 0.72 CA12 (0.50) CYP4F2CYP4A11ALDH1A1HSD17B10KDM4E
SCHEMBL8558614 0.72 HTR6 (0.38) FAAHCYP2D6NOTUM
Hydrochloric Acid SCHEMBL8568700 0.71 HTR6 (0.38) FAAHCYP2D6NOTUM

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed