SCHEMBL9724588

SCHEMBL9724588

C=CCOC(=O)N1CC[C@H](C2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]3C2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 1/20 0.35
FAAH O00519 3/20 0.33
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL9386771 1.00 ESR1 (0.35) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9383921 1.00 ESR1 (0.35) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9386828 0.94 FAAH (0.33) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9385045 0.89 FAAH (0.33) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9387188 0.89 FAAH (0.33) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9386415 0.88 FAAH (0.33) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9194073 0.86 ESR1 (0.39) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9697860 0.86 ESR1 (0.34) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9384446 0.86 ESR1 (0.46) ESR1CHRM1SLC6A4KCNH2SLC29A1
SCHEMBL9386632 0.86 ESR1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed