SCHEMBL9503527

SCHEMBL9503527

CCCN(CCOc1ccccc1)CCC1=CC=C(OC(=O)CC)C(O)(C(=O)CC)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.40
ACHE P22303 6/20 0.40
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FDPS P14324 1/20 0.36
ESR1 P03372 5/20 0.36
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9503329 0.72 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9503522 0.70 SIGMAR1 (0.52)
SCHEMBL9505422 0.70 BCHE (0.36) BCHEACHEKDM4E
SCHEMBL14463907 0.68 LTA4H (0.57) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL9503554 0.67 NPC1 (0.35) KDM4ESMN1; SMN2LMNACYP1A2CYP3A4
Succinic Acid SCHEMBL9503359 0.63 ADRA1D (0.60) KDM4ECYP3A4CYP2D6TSHRNFKB1
SCHEMBL868517 0.61 THRB (0.59) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9504438 0.61 ADRA1D (0.69) BCHEKDM4ECYP3A4CYP2D6TSHR
SCHEMBL21195812 0.61 KCNA3 (0.64) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29588544 0.61 OPRK1 (0.48) BCHEACHEFDPSESR1TP53

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