SCHEMBL27407409

SCHEMBL27407409

COC(=O)[C@@H](NC(=O)Cc1cc(C)cc(C)c1OC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL27406259 0.90 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL27461090 0.87 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL27384468 0.84 KMT2A (0.44) ALDH1A1MEN1KMT2A
SCHEMBL27406969 0.84 TAS1R3 (0.62) TAS1R3TAS1R1
SCHEMBL27405552 0.83 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1SMN1; SMN2THRB
SCHEMBL9594891 0.82 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1SMN1; SMN2THRB
SCHEMBL8744837 0.82 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1SMN1; SMN2THRB
SCHEMBL7950138 0.80 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1SMN1; SMN2THRB
SCHEMBL6993048 0.80 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1SMN1; SMN2THRB
SCHEMBL27386686 0.79 ALDH1A1 (0.49) TAS1R3TAS1R1ALDH1A1MEN1KMT2A

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
CN-1075060-C Alkoxy-alkyl-substd. 1-H-3-aryl-pyrrolidine-2,4-diones used as herbicides and pesticides BAYER AG (DE) 2001-11-21 CN disclosed
CN-1147249-A Alkoxy-alkyl-substituted 1-H-3-aryl-pyrrolidine-2, 4-diones as herbicides and pesticides BAYER AG (DE) 1997-04-09 CN disclosed