SCHEMBL8435759

SCHEMBL8435759

C[CH]C(=O)NC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LAP3 P28838 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
MAPT P10636 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TSHR P16473 1/20 0.33
KISS1R Q969F8 1/20 0.32
FOLH1 Q04609 2/20 0.32
CPA1 P15085 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
SCHEMBL13751190 0.80 TSHR (0.58) MLYCDALDH1A1TAAR1MEN1LMNA
SCHEMBL5209100 0.79
SCHEMBL5208329 0.77 TAS1R3 (0.38) ALDH1A1MEN1LMNAKMT2A
SCHEMBL8433880 0.76 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2A
SCHEMBL16351261 0.75 ALDH1A1 (0.50) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL17640940 0.73 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL8365133 0.73 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL6728943 0.73 MLYCD (0.42) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL8150869 0.73 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL6728949 0.73 ALDH1A1 (0.46) MLYCDALDH1A1MEN1LMNAKMT2A

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 3 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
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed