SCHEMBL7672802

SCHEMBL7672802

Cc1ccc(C(=O)NC(C)CC(=O)OCCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPC1 O15118 2/20 0.40
TRPA1 O75762 1/20 0.40
MLYCD O95822 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7665611 0.89 ALDH1A1 (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8424812 0.80 PPARG (0.52) TDP1HPGDMAPTALDH1A1RAB9A
SCHEMBL7671590 0.77 KMT2A (0.55) TDP1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7667298 0.75 HTT (0.49) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7671463 0.74 RAB9A (0.50) TDP1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7663189 0.73 TAS1R3 (0.49) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8424831 0.73 SMN1; SMN2 (0.54) TDP1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL7697528 0.73 TAS1R3 (0.49) HPGDMAPTKMT2ALMNAHTT
SCHEMBL7666886 0.72 PPARG (0.51) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8972504 0.72 RAB9A (0.57) HPGDSMN1; SMN2MEN1KMT2AALDH1A1

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

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