SCHEMBL9698231

SCHEMBL9698231

C=CCOC(=O)N1CCC(CC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC29A1 Q99808 1/20 0.46
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 4/20 0.34
MGLL Q99685 1/20 0.34
NR1D1 P20393 1/20 0.33
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL9696785 0.93 KDM4E (0.42) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9699370 0.93 ESR1 (0.44) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9384446 0.85 ESR1 (0.46) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9386632 0.85 ESR1 (0.46) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9382964 0.85 ESR1 (0.46) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9697735 0.83 KDM4E (0.40) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9696813 0.82 KDM4E (0.38) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9194600 0.82 ESR1 (0.49) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9194605 0.82 ESR1 (0.49) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9698230 0.81 ESR1 (0.34) ESR1CHRM1SLC6A4KCNH2SLC29A1

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
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed