SCHEMBL11711873

SCHEMBL11711873

CCOC(=O)C(Oc1ccc(C)c(C)c1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
AR P10275 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5209931 0.85 TDP1 (0.67) TDP1SMN1; SMN2L3MBTL1KMT2ALMNA
SCHEMBL11714106 0.83 KMT2A (0.51) TDP1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL11718996 0.81 LMNA (0.52) TDP1L3MBTL1NPC1KMT2AMEN1
SCHEMBL11716995 0.81 TAS1R3 (0.49) TDP1SMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL11715138 0.81 TDP1 (0.71) TDP1SMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL11708090 0.80 RAB9A (0.47) TDP1SMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL11717559 0.80 KMT2A (0.49) TDP1SMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL11711999 0.80 L3MBTL1 (0.48) TDP1SMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL20024745 0.79 KDM4E (0.46) TDP1L3MBTL1KMT2AMEN1LMNA
SCHEMBL11719239 0.78 KDM4E (0.45) TDP1L3MBTL1KMT2ALMNAMAPT

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
US-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed