SCHEMBL27692154

SCHEMBL27692154

CCOC(=O)C(C)c1ccc(CC(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PIN1 Q13526 1/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP8 P22894 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PRNP P04156 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL11054382 0.83 TSHR (0.50) TSHRSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL15253448 0.82 TSHR (0.43) TSHRSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL2650310 0.77 TSHR (0.45) TSHRSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL31360448 0.76 KMT2A (0.52) TSHRSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL15203285 0.76 KMT2A (0.52) TSHRSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL25156303 0.76 KMT2A (0.52) TSHRSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL12930787 0.74 TSHR (0.44) TSHRSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL28008699 0.73 TSHR (0.46) TSHRSMN1; SMN2LMNAALDH1A1PIN1
SCHEMBL363983 0.73 TSHR (0.48) TSHRSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL11243028 0.73 GABRA1 (0.46) TSHRLMNAPTGS2

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
CN-87100031-A The preparation method of 2-arylpropionic acid 1987-09-09 CN disclosed