SCHEMBL5707635

SCHEMBL5707635

CC(=O)N1CCC(SC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.42
EPHX1 P07099 3/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
QDPR P09417 1/20 0.38
PIK3CD O00329 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL18704630 0.78 CYP1A2 (0.44) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL2206284 0.75 ALDH1A1 (0.33) EPHX2EPHX1
SCHEMBL529492 0.74
SCHEMBL329321 0.72 CYP1A2 (0.52) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL8947886 0.71 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1
SCHEMBL191353 0.71 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1
SCHEMBL24568178 0.71 EPHX2 (0.38) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL4550276 0.70 SMN1; SMN2 (0.52) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL21325280 0.70 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL83783 0.70 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E

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-1020439-B1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC (JP) 2006-08-30 EP claimed