SCHEMBL9008510

SCHEMBL9008510

CC(=O)Oc1ccc2c(c1)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.53
ELANE P08246 2/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.44
PIM1 P11309 1/20 0.44
BACE1 P56817 1/20 0.44
GAPDH P04406 1/20 0.43
PKM P14618 3/20 0.42
POLB P06746 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
CA12 O43570 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 4/20 0.42

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
SCHEMBL9008559 0.91 MAPT (0.53) TTRELANEKDM4EMAPTSMN1; SMN2
SCHEMBL11213111 0.86 MAPT (0.55) TTRELANEKDM4EMAPTSMN1; SMN2
SCHEMBL22336250 0.83 MAPT (0.55) TTRELANEKDM4EMAPTSMN1; SMN2
SCHEMBL15085173 0.81 MAPT (0.62) TTRELANEKDM4EMAPTSMN1; SMN2
SCHEMBL497339 0.81 MAPT (0.60) TTRKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL29551111 0.81 MAPT (0.60) TTRKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4642778 0.80 MAPT (0.61) TTRELANEMAPTSMN1; SMN2KMT2A
SCHEMBL9008506 0.78 TTR (0.51) TTRKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL14627948 0.78 BACE1 (0.59) TTRELANEKDM4EMAPTSMN1; SMN2
SCHEMBL7173911 0.77 ELANE (0.75) TTRELANEKDM4EMAPTSMN1; SMN2

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
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US claimed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP claimed
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US disclosed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP disclosed