SCHEMBL7941836

SCHEMBL7941836

CC(C)c1cc(C(C)C)c(C(O)C(=O)O)c(C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.57
FABP4 P15090 2/20 0.57
FABP5 Q01469 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRB2 P47870 1/20 0.44
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
RARG P13631 2/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
GABRB1 P18505 1/20 0.33
EIF4A3 P38919 1/20 0.33

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
SCHEMBL9476012 0.79 LMNA (0.53) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL11451034 0.79 LMNA (0.50) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL11487337 0.79 LMNA (0.50) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL10753709 0.76 GABRA1 (0.52) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL11477884 0.74 BLM (0.49) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL11438524 0.74 BLM (0.49) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL7108814 0.73 FABP3 (0.41) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL8495041 0.73 FABP3 (0.49) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL9064395 0.73 GABRA1 (0.52) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL810177 0.72 FABP3 (1.00) FABP3FABP4FABP5GABRA1GABRB2

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
WO-2001096277-A1 METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYL MANDELIC ACID AND 2,3,4,6-TETRAMETHYL MANDELIC ACID ACETATE BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 WO disclosed