SCHEMBL28879772

SCHEMBL28879772

C[C](C)C(C1CCc2ccccc21)C1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
IDO1 P14902 2/20 0.42
SIGMAR1 Q99720 5/20 0.41
PRCP P42785 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL19838830 0.79 PDPK1 (0.47) PDPK1IDO1SIGMAR1PRCPCYP11B2
Methyl Alcohol SCHEMBL14815578 0.79 PRCP (0.49) PDPK1IDO1SIGMAR1PRCPCYP11B2
SCHEMBL7121537 0.79 TRPM8 (0.46) IDO1
SCHEMBL30298334 0.79 PRCP (0.52) PDPK1IDO1SIGMAR1PRCPCYP11B2
SCHEMBL30298337 0.79 PRCP (0.52) PDPK1IDO1SIGMAR1PRCPCYP11B2
SCHEMBL835606 0.79 PRCP (0.52) PDPK1IDO1SIGMAR1PRCPCYP11B2
SCHEMBL23771453 0.77 PDPK1 (0.42) PDPK1PRCP
SCHEMBL7678037 0.76 PDPK1 (0.44) PDPK1IDO1SIGMAR1PRCPCYP11B2
SCHEMBL27624328 0.76 IDO1 (0.43) PDPK1IDO1SIGMAR1CYP11B2
SCHEMBL9499564 0.76 IDO1 (0.47) PDPK1IDO1CYP11B2HTR6

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-110283280-B Metal complex catalyst, polymerization process using the same, and polymer product thereof 株式会社普利司通 2022-11-04 CN disclosed