SCHEMBL6624663

SCHEMBL6624663

O=C(O)CCc1c(-c2ccccc2)[nH]c2cccc(C(=O)O)c12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 5/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PARP1 P09874 1/20 0.49
PPARG P37231 1/20 0.48
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
MAPT P10636 1/20 0.45
PIM1 P11309 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7382647 0.81 GPR17 (0.52) GPR17KDM4EALDH1A1PARP1EGFR
SCHEMBL6624875 0.80 KDM4E (0.68) KDM4EALDH1A1PPARGEGFRSRC
SCHEMBL6625739 0.79 GPR17 (0.45) GPR17KDM4EALDH1A1PPARGMAPT
SCHEMBL6922496 0.77 PPARG (0.50) GPR17KDM4EALDH1A1PPARGEGFR
SCHEMBL2490337 0.77 KDM4E (0.63) KDM4EALDH1A1PARP1MAPTPIM1
SCHEMBL27471919 0.75 PPARG (0.46) GPR17KDM4EALDH1A1PARP1PPARG
SCHEMBL26135122 0.72 PPARG (0.49) GPR17KDM4EALDH1A1PPARGEGFR
SCHEMBL22118406 0.72 APOL1 (0.62) GPR17KDM4EALDH1A1PPARGEGFR
SCHEMBL7242795 0.71 EGFR (0.68) KDM4EALDH1A1PPARGEGFRSRC
SCHEMBL22118464 0.71 EGFR (0.62) GPR17KDM4EALDH1A1PPARGEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed