SCHEMBL7685263

SCHEMBL7685263

CCCCCCCOC(=O)CC(C)NC(=O)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
SMPD1 P17405 3/20 0.49
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 3/20 0.43

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 0.88 TAS1R3 (0.46) TAS1R3TAS1R1HDAC8HDAC6HDAC3
SCHEMBL8072402 0.87 PPARG (0.53) SMPD1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8076395 0.87 PPARG (0.53) SMPD1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8063792 0.87 PPARG (0.53) SMPD1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8424812 0.86 PPARG (0.52) ALDH1A1HPGDPPARGPPARAMAPT
SCHEMBL7689137 0.85 TAS1R3 (0.49) TAS1R3TAS1R1SMPD1HDAC8HDAC6
SCHEMBL7674813 0.85 TAS1R3 (0.49) TAS1R3TAS1R1SMPD1HDAC8HDAC6
SCHEMBL7665549 0.82 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1LMNAHPGD
SCHEMBL28242724 0.82 TAS1R3 (0.64) ATMTAS1R3TAS1R1HDAC8HDAC6
SCHEMBL7666886 0.80 PPARG (0.51) HDAC3HDAC1HDAC2ALDH1A1LMNA

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