SCHEMBL9634405

SCHEMBL9634405

CC(C)C(N)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
LMNA P02545 2/20 0.46
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.41
SLC15A1 P46059 1/20 0.40
DPP4 P27487 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL9634408 1.00 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8845163 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8845166 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8845063 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8844987 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8844867 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL8844864 0.89 KIF11 (0.49) KIF11LMNAHIF1AKDM4EADRA2A
SCHEMBL721558 0.86 HCAR2 (0.51) LMNAHIF1AKDM4EADRA2AADRA2C
SCHEMBL19581639 0.86 HCAR2 (0.51) LMNAHIF1AKDM4EADRA2AADRA2C
SCHEMBL19581641 0.86 HCAR2 (0.51) LMNAHIF1AKDM4EADRA2AADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209363-B1 HETEROPEPTIDES, INTERMEDIATES IN THE BIOSYNTHESIS OF PENICILLINS Antibioticos, S.A. (ES) 1992-05-06 EP disclosed
EP-0209363-A2 Heteropeptides, intermediates in the biosynthesis of penicillins Antibioticos, S.A. (ES) 1987-01-21 EP disclosed