SCHEMBL11519609

SCHEMBL11519609

C=C(C)C(=O)Nc1cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
BAZ1A Q9NRL2 1/20 0.33
JAK3 P52333 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SHBG P04278 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
SCHEMBL11520610 0.96 GAA (0.55) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11518542 0.92 TDP1 (0.41) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11520930 0.87 GAA (0.49) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11519108 0.85 GAA (0.44) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11521372 0.84 TDP1 (0.46) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11522501 0.83 GAA (0.56) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL9807633 0.83 GAA (0.69) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11519989 0.81 GAA (0.51) GAATDP1ALDH1A1RXFP1RECQL
SCHEMBL11518677 0.81 GAA (0.54) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11518156 0.81 TDP1 (0.43) GAATDP1ALDH1A1RXFP1POLB

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-4152319-A ALPHA, BETA-UNSATURATED AMIDES HAVING STERICALLY HINDERED PHENOLIC GROUP THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-01 US disclosed