SCHEMBL7663189

SCHEMBL7663189

COc1ccc(C(=O)NC(C)CC(=O)OCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 1/20 0.45
PLK1 P53350 1/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7667298 0.87 HTT (0.49) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL7671463 0.85 RAB9A (0.50) KMT2AALDH1A1MEN1RAB9AHTT
SCHEMBL7663019 0.84 PPARG (0.56) TAS1R3TAS1R1RAB9ANPC1
SCHEMBL7660841 0.79 TAS1R3 (0.57) TAS1R3TAS1R1CA1CA2KMT2A
SCHEMBL7697528 0.79 TAS1R3 (0.49) TAS1R3TAS1R1KMT2AMAPTHTT
SCHEMBL7663193 0.76 MAPT (0.49) CA1CA2KMT2AALDH1A1MAPT
SCHEMBL31432720 0.76 TAS1R3 (0.60) TAS1R3TAS1R1CA1CA2KMT2A
SCHEMBL22017478 0.76 TAS1R3 (0.60) TAS1R3TAS1R1CA1CA2KMT2A
SCHEMBL18896210 0.76 TAS1R3 (0.65) TAS1R3TAS1R1CA1CA2KMT2A
SCHEMBL29096093 0.75 CA1 (0.62) TAS1R3TAS1R1CA1CA2KMT2A

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 6 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
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