SCHEMBL3749865

SCHEMBL3749865

CC(C)(C)c1cccc(PO)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 1/20 0.30

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
SCHEMBL30996206 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL304569 0.77 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL16990195 0.76 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL19900242 0.75 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27699133 0.75 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL35210086 0.75 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30337218 0.72 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3089174 0.72 GABRA1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL144221 0.71 ALDH1A1 (0.62) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29395629 0.71 ALDH1A1 (0.62) CA2GABRA1GABRB2ALDH1A1TSHR

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
EP-2195378-A1 STYRENIC POLYMERS AS BLEND COMPONENTS TO CONTROL ADHESION BETWEEN OLEFINIC SUBSTRATES Dow Global Technologies Inc. (US) 2010-06-16 EP disclosed
WO-2009042364-A1 STYRENIC POLYMERS AS BLEND COMPONENTS TO CONTROL ADHESION BETWEEN OLEFINIC SUBSTRATES DOW GLOBAL TECHNOLOGIES INC. (US) 2009-04-02 WO disclosed