SCHEMBL4300972

SCHEMBL4300972

CC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1ccc(-c2ccc(P(Oc3c(C(C)(C)C)cccc3C(C)(C)C)Oc3c(C(C)(C)C)cccc3C(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 1/20 0.33
TRPA1 O75762 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2908343 0.95 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8360217 0.86 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2903584 0.81 KIF11 (0.33) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27737123 0.80 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL75583 0.77 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28439069 0.75 RXRA (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30975105 0.74 IDO1 (0.32) CA2GABRA1GABRB2
SCHEMBL8658647 0.74 SMN1; SMN2 (0.36) CA2ALDH1A1SMN1; SMN2
SCHEMBL10343213 0.74 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8395568 0.74 CA2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed