SCHEMBL14136359

SCHEMBL14136359

CN1CCc2cc(OC(=O)c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
MMP13 P45452 1/20 0.46
RAB9A P51151 1/20 0.46
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
GRM5 P41594 1/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18387682 0.77 HRH3 (0.50) MAPTTDP1ALDH1A1MAOAL3MBTL1
SCHEMBL7873208 0.76 MEN1 (0.52) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL15323331 0.75 MEN1 (0.54) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL11849653 0.74 ESR1 (0.72) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL9720000 0.74 KMT2A (0.58) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL2819895 0.73 ACHE (0.51) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL13078257 0.73 GAA (0.57) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL2625807 0.73 NOTUM (0.59) KMT2AMEN1SRD5A1
SCHEMBL21792031 0.73 KDM4E (0.56) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL28499625 0.72 HRH3 (0.70) MAOAMAOBNPC1RAB9ASRD5A1

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-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed