SCHEMBL8433780

SCHEMBL8433780

[CH2]C(=O)NC(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TAS1R2 Q8TE23 3/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL13036625 0.76 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6729225 0.76 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16643945 0.76 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13035837 0.76 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16643942 0.76 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16643953 0.76 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6729228 0.76 TAS1R3 (0.48) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL944394 0.76 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL9891896 0.74 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL21789475 0.74 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed