SCHEMBL9382425

SCHEMBL9382425

C=CCOC(=O)N1CCOC[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.39
RAB9A P51151 3/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CHRM1 P11229 1/20 0.34
CYP19A1 P11511 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ERN1 O75460 3/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL9382048 0.87 CA12 (0.35) FKBP1ARAB9ACA12CA1CA2
SCHEMBL30278681 0.85 CYP19A1 (0.44) FKBP1ACA12CA1CA2CA9
SCHEMBL20101959 0.82 SIGMAR1 (0.33) RAB9ACA12CA1CA2CA9
SCHEMBL5702051 0.80 RAB9A (0.48) RAB9ACHRM1CYP19A1SIGMAR1ELANE
SCHEMBL7877679 0.80 RAB9A (0.48) RAB9ACHRM1CYP19A1SIGMAR1ELANE
SCHEMBL5702004 0.80 RAB9A (0.48) RAB9ACHRM1CYP19A1SIGMAR1ELANE
SCHEMBL27305125 0.80 PDK1 (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL28629931 0.80 PDK1 (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL9192532 0.80 PDK1 (0.47) RAB9ACA12CA1CA2CA9
SCHEMBL20101960 0.79 CYP19A1 (0.36) CHRM1CYP19A1SIGMAR1ERN1FAAH

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
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
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