SCHEMBL27757706

SCHEMBL27757706

CC(C)C1=Cc2c(cccc2C(C)C)[CH]1.[Zr]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 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
SCHEMBL27736962 0.81 CYP1A2 (0.30) CYP1A2
SCHEMBL27442418 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL714961 0.78 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL28056688 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL27509389 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL27489361 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL2482751 0.77
SCHEMBL27736965 0.77 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL27757772 0.76
SCHEMBL27757699 0.75 CDC25A (0.34) HPGD

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-101356199-A Method for producing ultra-high molecular weight polymers by means of special bridged metallocene catalysts TICONA GMBH (DE) 2009-01-28 CN disclosed