SCHEMBL7689788

SCHEMBL7689788

CCCCCCCOC(=O)CC(C)NC(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 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
SCHEMBL20366937 0.86 THRB (0.51) TSHRALDH1A1LMNATP53POLB
SCHEMBL8076395 0.84 PPARG (0.53) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL8063792 0.84 PPARG (0.53) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL8072402 0.84 PPARG (0.53) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL8424812 0.81 PPARG (0.52) TSHRALDH1A1TP53L3MBTL1TDP1
SCHEMBL7689137 0.80 TAS1R3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7674813 0.80 TAS1R3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7685263 0.79 ATM (0.54) ALDH1A1LMNAKDM4EHDAC3HDAC4
SCHEMBL7672412 0.79 EPHX2 (0.43) TSHRALDH1A1LMNA
SCHEMBL7672042 0.79 PTPN1 (0.44) TSHRALDH1A1LMNA

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