SCHEMBL7713810

SCHEMBL7713810

CCCC(=O)C1=C(O)CC(C(=O)OCC)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
BUB1 O43683 1/20 0.39
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B2 P19099 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL24413554 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL10001994 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL9718044 0.76 BUB1 (0.45) ALDH1A1KMT2ABUB1TSHRMAPT
SCHEMBL10337538 0.76 BUB1 (0.49) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL4284354 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL14169016 0.75 BUB1 (0.41) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL24413557 0.75 BUB1 (0.53) ALDH1A1KDM4EKMT2ABUB1GAA
SCHEMBL4281310 0.74 KDM4E (0.44) ALDH1A1KDM4EKMT2ABUB1MEN1
SCHEMBL28689396 0.74 TSHR (0.42) ALDH1A1KMT2ABUB1TSHRHPGD
SCHEMBL28686165 0.72 TSHR (0.39) ALDH1A1KMT2ABUB1TSHRMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed
US-5171352-A Applying phenylsulfonylurea compound before harvesting bolls BASF AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed
US-5087282-A Sulfonylura agents for defoliating cotton BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed
US-5045105-A Use of derivatives of n-phenyl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
US-4999041-A DEFOLIANTS, COTTON FARMING BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed