SCHEMBL7190643

SCHEMBL7190643

O=C(O)Oc1cc(OC(=O)O)c(O)c(OC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
ANTXR2 P58335 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 3/20 0.33

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
SCHEMBL10716487 0.83 CA12 (0.40) PKMCA12CA1CA2CA3
SCHEMBL5085382 0.81 KDM4E (0.37) KDM4ELMNAMAPTMAPK1BACE1
SCHEMBL8030911 0.81 KDM4E (0.37) KDM4ELMNAMAPTMAPK1BACE1
SCHEMBL1551913 0.79 KDM4E (0.36) KDM4ELMNAMAPTMAPK1CYP3A4
SCHEMBL6575964 0.79 KDM4E (0.40) POLBKDM4ELMNAMAPTMAPK1
SCHEMBL322525 0.79 LMNA (0.40) KDM4ELMNAMAPTCYP3A4BACE1
SCHEMBL8608872 0.78 NSD2 (0.48) CA12CA1CA2CA3CA4
SCHEMBL7258244 0.77 KDM4E (0.36) KDM4ELMNANSD2MAPTCYP3A4
SCHEMBL5678543 0.76 KDM4E (0.46) POLBKDM4ELMNAMAPTMAPK1
SCHEMBL7551541 0.76 KDM4E (0.46) KDM4EMAPTMAPK1PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed