SCHEMBL28636065

SCHEMBL28636065

C(=CC1CCc2ccccc21)C1CCc2ccccc21.Cl[Zr]Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
PDPK1 O15530 1/20 0.43
CYP11B2 P19099 1/20 0.41
HTR6 P50406 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FADS1 O60427 1/20 0.37
RET P07949 1/20 0.37
HTR2A P28223 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL11631168 0.81 PDPK1 (0.47) IDO1PDPK1CYP11B2HTR6SIGMAR1
SCHEMBL11631174 0.81 PDPK1 (0.47) IDO1PDPK1CYP11B2HTR6SIGMAR1
SCHEMBL27645704 0.78 SMN1; SMN2 (0.43) IDO1PDPK1CYP11B2SIGMAR1
SCHEMBL11882269 0.77 IDO1 (0.40) IDO1PDPK1CYP11B2CA1CA2
SCHEMBL9165650 0.76 IDO1 (0.46) IDO1PDPK1CYP11B2HTR6CA1
SCHEMBL1567191 0.76 PDPK1 (0.50) IDO1PDPK1CYP11B2HTR6SIGMAR1
SCHEMBL21937667 0.76 IDO1 (0.46) IDO1PDPK1CYP11B2HTR6CA1
SCHEMBL22391437 0.76 IDO1 (0.50) IDO1PDPK1CYP11B2HTR6CA1
SCHEMBL384149 0.76 IDO1 (0.46) IDO1PDPK1CYP11B2HTR6CA1
SCHEMBL1567129 0.76 HTR1A (0.47) IDO1PDPK1CYP11B2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372478-B Aldehyde group functionalized cycloolefin-ethylene copolymer and preparation method thereof 万华化学集团股份有限公司 2022-07-15 CN disclosed
CN-113372478-A Aldehyde group functionalized cycloolefin-ethylene copolymer and preparation method thereof 万华化学集团股份有限公司 2021-09-10 CN disclosed