SCHEMBL28353306

SCHEMBL28353306

CCCCCCCCC=CCCC1=CC(=O)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
CDC25C P30307 1/20 0.46
MGLL Q99685 2/20 0.43
FAAH O00519 3/20 0.42
TRPV1 Q8NER1 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
EPHX2 P34913 1/20 0.40
DUSP3 P51452 1/20 0.38
PTPN7 P35236 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.38
FABP3 P05413 1/20 0.38
CYP3A4 P08684 1/20 0.38
F7 P08709 1/20 0.38
CYP19A1 P11511 1/20 0.38
F3 P13726 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL3916829 0.94 CDC25A (0.49) CDC25ACDC25BCDC25CMGLLFAAH
SCHEMBL8471379 0.88 MGLL (0.43) CDC25ACDC25BCDC25CMGLLFAAH
SCHEMBL8471380 0.88 MGLL (0.43) CDC25ACDC25BCDC25CMGLLFAAH
SCHEMBL10666720 0.88 MGLL (0.43) CDC25ACDC25BCDC25CMGLLFAAH
SCHEMBL6413040 0.83 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL9697326 0.83 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL8924182 0.83 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL8921071 0.83 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL8922171 0.83 ACHE (0.50) CDC25ACDC25BCDC25C
SCHEMBL4372749 0.83 ACHE (0.50) CDC25ACDC25BCDC25C

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
CN-110590798-A Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2019-12-20 CN disclosed