SCHEMBL8338248

SCHEMBL8338248

CC(Cc1ccc(C(C)(C)C)cc1)C(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
TSHR P16473 1/20 0.55
ACACB O00763 3/20 0.45
RECQL P46063 2/20 0.42
CYP19A1 P11511 1/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
KIF11 P52732 1/20 0.41
COPS5 Q92905 1/20 0.40
TRPA1 O75762 2/20 0.40
GRIA4 P48058 1/20 0.40
REN P00797 1/20 0.39
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL113650 0.90 TP53 (0.56) TP53TSHRACACBRECQLCYP19A1
SCHEMBL18253225 0.83 TSHR (0.58) TP53TSHRACACBRECQLEBP
SCHEMBL8679307 0.83 TSHR (0.58) TP53TSHRACACBRECQLEBP
SCHEMBL10340344 0.83 TRPA1 (0.62) TP53TSHRACACBRECQLEBP
SCHEMBL10340199 0.80 TP53 (0.51) TP53TSHRACACBRECQLCYP19A1
SCHEMBL11488062 0.80 TSHR (0.55) TP53TSHRACACBCYP19A1EBP
SCHEMBL547420 0.79 TSHR (0.62) TP53TSHRACACBEBPSIGMAR1
SCHEMBL25124242 0.78 TP53 (0.52) TP53TSHRACACBRECQLEBP
SCHEMBL11206658 0.78 TP53 (0.56) TP53TSHRACACBCYP19A1EBP
SCHEMBL8323180 0.76 TSHR (0.55) TP53TSHRACACBRECQLEBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089985-B1 SILICON-BASED FUNGICIDES AND PROCESS FOR PRODUCING THE SAME COUNCIL SCIENT IND RES (IN) 2018-06-27 EP disclosed
WO-1999016735-A1 METHOD FOR MAKING ACETAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
EP-0905115-A1 Method for making acetal compounds THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 EP disclosed