SCHEMBL28829202

SCHEMBL28829202

CC(C)c1cccc(C(C)C)c1OC[AlH2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL13408054 0.82 TSHR (0.47) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL11112611 0.82 TSHR (0.47) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL9271255 0.79 GABRA1 (0.52) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL4077369 0.78 TSHR (0.45) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL13954295 0.78 GABRA1 (0.54) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL13896644 0.78 TSHR (0.45) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL13408055 0.77 TSHR (0.51) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL5873464 0.75 GABRA1 (0.50) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL9476101 0.75 LMNA (0.52) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL22857717 0.75 TSHR (0.43) TSHRALOX15GABRA1GABRG2GABRB3

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
CN-115119510-A Alkylene oxide polymerization using aluminum compounds and phosphorus-nitrogen bases 陶氏环球技术有限责任公司 2022-09-27 CN claimed
CN-115003730-A Alkylene oxide polymerization using aluminum compounds and cyclic amidines 陶氏环球技术有限责任公司 2022-09-02 CN claimed
CN-115119510-A Alkylene oxide polymerization using aluminum compounds and phosphorus-nitrogen bases 陶氏环球技术有限责任公司 2022-09-27 CN disclosed
CN-115003730-A Alkylene oxide polymerization using aluminum compounds and cyclic amidines 陶氏环球技术有限责任公司 2022-09-02 CN disclosed