SCHEMBL9753067

SCHEMBL9753067

CCOC(=O)C1CCC(=O)C=C1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR4 O00206 1/20 0.40
CYP19A1 P11511 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9470405 0.82 TLR4 (0.43) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL7634605 0.78 CHRM2 (0.50) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL20103471 0.76 TLR4 (0.43) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL24249958 0.75 TLR4 (0.49) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL1141761 0.75 TLR4 (0.49) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL17118109 0.75 TLR4 (0.49) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL7634499 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL22640216 0.73 MEN1 (0.46) MEN1KMT2APOLBALDH1A1PKM
SCHEMBL22640236 0.73 MEN1 (0.46) MEN1KMT2APOLBALDH1A1PKM
SCHEMBL7639363 0.71 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9AL3MBTL1

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed