SCHEMBL7666901

SCHEMBL7666901

CCCCC(C)OC(=O)CC(C)NC(=O)c1ccc(NC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
NAMPT P43490 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
FAAH O00519 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7697169 0.88 MLYCD (0.46) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL8064600 0.86 RAB9A (0.51) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL7663007 0.84 MLYCD (0.51) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL7672197 0.83 MLYCD (0.50) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL8072727 0.83 PRSS1 (0.52) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL8063328 0.82 PRSS1 (0.53) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL8072888 0.82 PRSS1 (0.53) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL7694916 0.81 TAS1R3 (0.43) MLYCDALDH1A1HPGDRAB9ANPC1
SCHEMBL7660852 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AFAAHCNR1
SCHEMBL8063158 0.79 RAB9A (0.57) ALDH1A1HPGDRAB9ANPC1MEN1

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
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed