SCHEMBL7603901

SCHEMBL7603901

O=C(O)c1c2c(C(=O)O)c3ccccc3c1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CDC7 O00311 1/20 0.46
EEF2K O00418 1/20 0.46
PLK4 O00444 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46
AXL P30530 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
SYK P43405 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PLK1 P53350 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL15845324 0.89 KDM4E (0.51) KDM4EALDH1A1CDC7EEF2KPLK4
SCHEMBL6682958 0.89 KDM4E (0.50) KDM4EALDH1A1CDC7EEF2KPLK4
SCHEMBL84141 0.83 CDC7 (0.46) KDM4EALDH1A1CDC7EEF2KPLK4
SCHEMBL29599456 0.77 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AHPGD
Benzene SCHEMBL10558251 0.77 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL70004 0.77 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3661809 0.76 CDC7 (0.44) KDM4EALDH1A1CDC7EEF2KPLK4
SCHEMBL480352 0.76 CDC7 (0.48) KDM4EALDH1A1CDC7EEF2KPLK4
SCHEMBL3458298 0.75 CDC7 (0.47) KDM4EALDH1A1CDC7EEF2KPLK4
Hydrochloric Acid SCHEMBL21173958 0.74 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020098451-A1 Photothermographic material KONICA CORPORATION (JP) 2002-07-25 US disclosed