SCHEMBL373525

SCHEMBL373525

C[C](C)c1cccc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
LMNA P02545 2/20 0.30
TYR P14679 2/20 0.30
NR1I2 O75469 1/20 0.30
CYP2C9 P11712 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
SCHEMBL16954293 0.86 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1434698 0.83 CA2 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29263958 0.81 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL670251 0.79 ALDH1A1 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29678146 0.79 ALOX15 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL273494 0.79 ALOX15 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL16960647 0.78 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL304569 0.78 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30706305 0.78 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28774188 0.78 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
EP-2410019-A1 POLYAMIDE RESIN COMPOSITION, FILM COMPRISING SAME, AND LAMINATED POLYAMIDE FILM Ube Industries, Ltd. (JP) 2012-01-25 EP disclosed