SCHEMBL8418529

SCHEMBL8418529

CC(CCC(C)(C)OC(N)=O)C(N)(C=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.35
KMT2A Q03164 2/20 0.33
EPHX1 P07099 5/20 0.33
MEN1 O00255 1/20 0.32
CTSK P43235 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL27741015 0.79 RIPK1 (0.60) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28808824 0.77 RIPK1 (0.65) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27945599 0.76 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27964869 0.76 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL8415836 0.73 RIPK1 (0.36) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27666213 0.70 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27666222 0.70 RIPK1 (0.46) RIPK1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL27908471 0.69 LMNA (0.32) CYP3A4TSHR
SCHEMBL8238473 0.67 LMNA (0.34) CYP3A4CYP2C9TSHR
SCHEMBL26697028 0.67 LMNA (0.49) SMN1; SMN2KMT2AMEN1

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-5942541-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
US-5723646-A Substituted amino acid amide derivatives their preparation and use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed