SCHEMBL7401344

SCHEMBL7401344

[CH2]C(=O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.45
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 4/20 0.33
P2RX7 Q99572 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5401965 0.77 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL2181379 0.74 HSD11B1 (0.46) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL160953 0.74 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10
SCHEMBL16698251 0.74 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10
SCHEMBL19859959 0.74 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10
SCHEMBL27284428 0.74 HSD11B1 (0.52) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL813578 0.72 HSD11B1 (0.45) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL1727171 0.72 HSD11B1 (0.45) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL177210 0.72 HSD11B1 (0.45) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL31349739 0.72 HSD11B1 (0.46) HSD11B1CYP2C9L3MBTL1HSD17B10

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-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed