SCHEMBL8829940

SCHEMBL8829940

[c]1ccc(C2OCCO2)cn1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL972955 0.74 KCNH2 (0.34)
SCHEMBL197768 0.74
SCHEMBL17729591 0.73 OPRL1 (0.31) CYP11B2
SCHEMBL533185 0.72 MEN1 (0.37) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL1515240 0.69 CYP11B2 (0.46) CYP11B2
SCHEMBL8551556 0.68 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL9451016 0.67 MEN1 (0.44) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL27901864 0.65 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL2422786 0.65 CYP2A6 (0.50) CYP11B2
SCHEMBL28647280 0.65 MEN1 (0.32) CCNB2CDK1CCNB1GSK3BCDK5

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
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US disclosed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP disclosed