SCHEMBL8435642

SCHEMBL8435642

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15113186 0.78 GAA (0.40) TAS1R3TAS1R1
SCHEMBL5209609 0.77 TAS1R3 (0.38) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL8437464 0.77
SCHEMBL6722400 0.75 TAS1R3 (0.42) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL6722398 0.75 TAS1R3 (0.39) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL8437778 0.75 ALDH1A1 (0.40) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL8438019 0.75 CA12 (0.46) TAS1R3TAS1R1MMP1MMP2CA1
SCHEMBL11915410 0.75 ALDH1A1 (0.40) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL8438615 0.75 SMN1; SMN2 (0.40) TAS1R3TAS1R1MEN1FAAHMAPK1
SCHEMBL8433765 0.74 ALDH1A1 (0.37) MMP1MMP2MMP3MEN1FAAH

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