SCHEMBL7672473

SCHEMBL7672473

CCCCC(C)OC(=O)CC(C)NC(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.52
HTT P42858 4/20 0.51
TSHR P16473 3/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSK P43235 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HSPA5 P11021 2/20 0.48
HDAC3 O15379 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL7671768 0.81 RAB9A (0.53) RAB9AHPGDHTTTSHRGLA
SCHEMBL8064600 0.81 RAB9A (0.51) RAB9AHPGDHTTTSHRCTSK
SCHEMBL7665562 0.80 MAPT (0.42) L3MBTL1CTSKKDM4EALDH1A1MAPT
SCHEMBL1520602 0.78 HPGD (0.70) RAB9AHPGDHTTTSHRGLA
SCHEMBL7697169 0.77 MLYCD (0.46) RAB9AHPGDHTTL3MBTL1SMN1; SMN2
SCHEMBL8072727 0.77 PRSS1 (0.52) RAB9AHPGDHTTL3MBTL1KDM4E
SCHEMBL8072888 0.76 PRSS1 (0.53) RAB9AHPGDHTTL3MBTL1KDM4E
SCHEMBL8063328 0.76 PRSS1 (0.53) RAB9AHPGDHTTL3MBTL1KDM4E
SCHEMBL7660852 0.76 ALDH1A1 (0.44) L3MBTL1CTSKKDM4EALDH1A1MAPT
SCHEMBL7666901 0.75 MLYCD (0.44) RAB9AHPGDHTTSMN1; SMN2ALDH1A1

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 3 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