SCHEMBL13869802

SCHEMBL13869802

CCCCN(CCCC)c1ccc2cc(-c3ccc4c(c3)-c3cc(-c5cc6ccc(N(CC)CC)cc6oc5=O)ccc3C4(C)C)c(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
MAPT P10636 13/20 0.49
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 7/20 0.49
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 4/20 0.49
USP2 O75604 4/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 4/20 0.48
NR1H4 Q96RI1 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
ATM Q13315 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 2/20 0.46

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
SCHEMBL13869807 0.88 CYP19A1 (0.61) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869318 0.87 CYP19A1 (0.70) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869801 0.86 CYP19A1 (0.59) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869806 0.84 CYP19A1 (0.57) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869771 0.84 CYP19A1 (0.68) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869800 0.83 CYP19A1 (0.56) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869776 0.82 CYP19A1 (0.55) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869786 0.81 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13886436 0.81 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869685 0.81 CYP19A1 (0.58) CYP19A1MAPTMEN1KMT2AKDM4E

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-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed