SCHEMBL28610330

SCHEMBL28610330

CC(C)(C)CC(C)(C)Oc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
JAK2 O60674 1/20 0.44
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL10606418 0.87 LMNA (0.48) TSHRTP53CA1CA2GAA
SCHEMBL2917048 0.82 TSHR (0.48) TSHRTP53CA1CA2GAA
SCHEMBL28735617 0.79 TSHR (0.45) TSHRTP53CA1CA2GAA
SCHEMBL29690507 0.78 TSHR (0.38) TSHRMAPTALDH1A1TDP1DRD2
SCHEMBL1805490 0.77 CA2 (0.56) TSHRTP53CA1CA2GAA
SCHEMBL7631174 0.75 KDM4E (0.50) TSHRLMNAMAPTALDH1A1TDP1
SCHEMBL16173839 0.74 TSHR (0.48) TSHRTP53CA1CA2GAA
SCHEMBL11002065 0.74 TSHR (0.52) TSHRTP53CA1CA2GAA
SCHEMBL28056177 0.74 TSHR (0.52) TSHRTP53CA1CA2GAA
SCHEMBL31398488 0.74 TSHR (0.52) TSHRTP53CA1CA2GAA

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-108699231-B Polycarbonate resin and method for producing same 三菱瓦斯化学株式会社 2021-08-24 CN disclosed