SCHEMBL9839718

SCHEMBL9839718

CCCC(=O)C1=C(O)CC(c2cc(C)c3ccccc3c2C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 7/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 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
SCHEMBL9838942 0.84 MEN1 (0.49) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL9838931 0.84 MEN1 (0.49) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL9838013 0.82 MEN1 (0.41) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10739830 0.80 MEN1 (0.47) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10682228 0.76 MEN1 (0.39) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL9798904 0.76 TSHR (0.51) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10738072 0.75 MEN1 (0.39) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10733323 0.75 RAB9A (0.42) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10684028 0.74 MEN1 (0.36) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL10678925 0.74 MEN1 (0.36) RAB9AMEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 EP disclosed
US-4680400-A Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives ICI AUSTRALIA LIMITED (AU) 1987-07-14 US disclosed
US-4640708-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-03 US disclosed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP disclosed