SCHEMBL7227209

SCHEMBL7227209

CCOc1ccc(N(C(=O)CO)C(C)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ACACB O00763 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP10 Q53GL7 1/20 0.42
NQO1 P15559 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL9877199 0.88 NQO1 (0.45) ALDH1A1ACACBNPSR1MEN1KMT2A
SCHEMBL7232363 0.83 TRPM8 (0.37) ALDH1A1LMNA
SCHEMBL11925042 0.76 LMNA (0.51) ALDH1A1ACACBNPSR1MEN1KMT2A
SCHEMBL20873175 0.74 NPSR1 (0.39) ALDH1A1ACACBNPSR1MEN1KMT2A
SCHEMBL10537588 0.73 TRPM8 (0.49) ALDH1A1NPSR1MAPTLMNATAS1R3
SCHEMBL11925051 0.73 GAA (0.47) ALDH1A1NPSR1MEN1KMT2APARP10
SCHEMBL8597307 0.71 ALDH1A1 (0.39) ALDH1A1ACACBNPSR1MEN1KMT2A
SCHEMBL7227214 0.70 NPC1 (0.44) ALDH1A1PARP10NQO1MAPTKDM4E
SCHEMBL8864904 0.69 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL5718403 0.69 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1361772-A Substituted heteroaryloxyacetanilides and their use as herbicides BAYER AG (DE) 2002-07-31 CN claimed
US-6544931-B1 For controlling plant growth BAYER AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
CN-1361772-A Substituted heteroaryloxyacetanilides and their use as herbicides BAYER AG (DE) 2002-07-31 CN disclosed
EP-1202981-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-05-08 EP disclosed
WO-2001005777-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed