SCHEMBL9218673

SCHEMBL9218673

C=CCOC(=O)N1CC(O)CC1CCO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.31
POLB P06746 1/20 0.31
CHRM1 P11229 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
SCHEMBL8833539 1.00 SIGMAR1 (0.33) SIGMAR1CYP19A1POLBCHRM1
SCHEMBL9369573 0.90 SIGMAR1 (0.33) SIGMAR1CYP19A1POLBCHRM1
SCHEMBL5490043 0.90 SIGMAR1 (0.33) SIGMAR1CYP19A1POLBCHRM1
Ammonia Solution, Strong SCHEMBL9603320 0.86
SCHEMBL8098459 0.83 CYP19A1 (0.30) CYP19A1
SCHEMBL9220972 0.82 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8832944 0.82 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8547165 0.78 ATM (0.50) SIGMAR1CYP19A1POLBCHRM1
SCHEMBL7233850 0.78 ATM (0.50) SIGMAR1CYP19A1POLBCHRM1
SCHEMBL7597723 0.78 ATM (0.50) SIGMAR1CYP19A1POLBCHRM1

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
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed