SCHEMBL7697528

SCHEMBL7697528

Cc1cc(C)cc(C(=O)NC(C)CC(=O)OCCCl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL7691677 0.83 TAS1R3 (0.46) TAS1R3TAS1R1HDAC3HDAC4HDAC1
SCHEMBL7671463 0.82 RAB9A (0.50) HPGDHTTLMNAKMT2A
SCHEMBL7667298 0.81 HTT (0.49) HPGDMAPK1HTTLMNAMAPT
SCHEMBL7663189 0.79 TAS1R3 (0.49) TAS1R3TAS1R1HPGDHTTMAPT
SCHEMBL7697529 0.74 KMT2A (0.33) TAS1R3TAS1R1HDAC3HDAC4HDAC1
SCHEMBL7694916 0.73 TAS1R3 (0.43) TAS1R3TAS1R1ATMHPGDMAPK1
SCHEMBL7672802 0.73 TDP1 (0.48) HPGDHTTLMNAMAPTKMT2A
SCHEMBL14275080 0.72 TAS1R3 (0.60) TAS1R3TAS1R1ATMHPGDLMNA
SCHEMBL7685263 0.72 ATM (0.54) TAS1R3TAS1R1ATMHPGDHTT
SCHEMBL8424812 0.70 PPARG (0.52) HPGDMAPT

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