SCHEMBL11700415

SCHEMBL11700415

COc1ccc(C)c(NCC=O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
P2RX7 Q99572 2/20 0.42
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
DHFR P00374 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FGFR4 P22455 1/20 0.38
ERN1 O75460 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
SCHEMBL6787147 0.80 ALDH1A1 (0.55) MAPTGAAKMT2AMAPK1HTT
SCHEMBL16985200 0.79 CYP3A4 (0.56) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL11698783 0.78 P2RX7 (0.39) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL1911389 0.77 OR51E2 (0.46) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL11698648 0.76 GAA (0.47) MAPTGAAHTTLMNATDP1
SCHEMBL16301339 0.76 TDP1 (0.44) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL12002206 0.75 GAA (0.40) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL9228069 0.72 GAA (0.46) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL10224284 0.72 GUCY1A1 (0.43) MAPTP2RX7GAAKMT2AMEN1
SCHEMBL11702717 0.72 TAS2R14 (0.46) MAPTP2RX7GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US disclosed