SCHEMBL9192808

SCHEMBL9192808

C=CCOC(=O)N1CCC[C@H]1/C=C(\C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
ERN1 O75460 1/20 0.32
CYP19A1 P11511 1/20 0.32
TSHR P16473 1/20 0.31
CHRM1 P11229 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
SCHEMBL9194135 1.00 SIGMAR1 (0.35) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9192814 1.00 SIGMAR1 (0.35) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9194136 1.00 SIGMAR1 (0.35) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9191222 0.96 ALDH1A1 (0.35) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9191216 0.96 ALDH1A1 (0.35) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9198989 0.83 CASP1 (0.33) ALDH1A1GAA
SCHEMBL8864765 0.83 RAB9A (0.37) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL8864772 0.83 RAB9A (0.37) SIGMAR1RAB9AALDH1A1GAAELANE
SCHEMBL9198982 0.81 PREP (0.39)
SCHEMBL9192830 0.81 SIGMAR1 (0.32) SIGMAR1ELANECTSGERN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330108-B1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1995-12-27 EP disclosed
US-5081237-A Chemical intermediates for bactericides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-14 US disclosed
US-4923857-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0330108-A1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 EP disclosed