SCHEMBL9506538

SCHEMBL9506538

CCCN(CCOc1c(OC)cccc1OC)CCC1=CC=C(OC(=O)c2ccc(Cl)cc2)C(O)(C(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL9503554 0.83 NPC1 (0.35) LMNANPC1
SCHEMBL9506536 0.77 SIGMAR1 (0.48)
SCHEMBL9503329 0.74 KDM4E (0.36) ALDH1A1
SCHEMBL9504595 0.72 SIGMAR1 (0.36) ALDH1A1
Fumaric Acid SCHEMBL9506530 0.68 SIGMAR1 (0.35) ALDH1A1
SCHEMBL9503531 0.61 ADRA1D (0.63)
Hydrochloric Acid SCHEMBL26688719 0.60 HTR2A (0.47) ALDH1A1
SCHEMBL9503551 0.59 SIGMAR1 (0.41)
SCHEMBL31321629 0.58 PRSS1 (0.63) ALDH1A1LMNAMAPTPOLBNPC1
Oxalic Acid SCHEMBL8728762 0.58 BCHE (0.61)

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-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed