SCHEMBL9313277

SCHEMBL9313277

C=CCOC(=O)NCC(CNC(=O)OCC=C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC29A1 Q99808 1/20 0.41
FAAH O00519 5/20 0.36
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
MGLL Q99685 1/20 0.31
CASP1 P29466 2/20 0.31
CACNA1C Q13936 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
SCHEMBL9387260 0.90 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9313224 0.90 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9696754 0.90 KDM4E (0.41) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9314663 0.89 KDM4E (0.36) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9313285 0.89 KDM4E (0.37) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9314577 0.87 KDM4E (0.35) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9697805 0.85 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9698215 0.85 KDM4E (0.40) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9695618 0.83 KDM4E (0.38) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9670151 0.83 FAAH (0.34) FAAHCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed