SCHEMBL30580403

SCHEMBL30580403

CC(C)(C)c1cccc(OP(O)O)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.35
ATM Q13315 1/20 0.35
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MAPT P10636 2/20 0.32
BCHE P06276 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1071353 1.00 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL27696419 0.98 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL28910455 0.89 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TDP1
Tromethamine SCHEMBL3930217 0.88 CA2 (0.33) CA2GABRA1GABRB2ALDH1A1NAMPT
SCHEMBL303584 0.85 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL30302998 0.85 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL29444949 0.85 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1276333 0.83 PTGDR2 (0.32) CA2
SCHEMBL29516118 0.83 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL29623802 0.82 ALDH1A1 (0.45) CA2GABRA1GABRB2ALDH1A1TDP1

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-3935146-B1 POLYALKYLENE GLYCOL LUBRICANT COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-03-27 EP disclosed
WO-2023176856-A1 LAMINATE, CARD, PASSPORT, MANUFACTURING METHOD THEREOF, AND LASER MARKING METHOD 三菱ケミカル株式会社 2023-09-21 WO disclosed