SCHEMBL6474378

SCHEMBL6474378

Cc1cc(O)c(-c2ccc(C(=O)O)cc2C)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6475260 0.85 CA12 (0.49) KDM4EMAPTCA12CA1CA2
SCHEMBL6472603 0.79 KDM4E (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4977924 0.74 CA12 (0.49) KDM4EGAAMAPTCA12CA1
SCHEMBL68014 0.74 ALDH1A1 (0.57) KDM4EGAAL3MBTL1MAPTCA12
SCHEMBL6471350 0.72 CA12 (0.47) KDM4EGAAL3MBTL1MAPTCA12
Hydrochloric Acid SCHEMBL4352471 0.72 ALDH1A1 (0.56) KDM4EGAAL3MBTL1MAPTCA12
SCHEMBL3558703 0.72 MYC (0.58) KDM4EGAAL3MBTL1ALDH1A1TTR
SCHEMBL14950602 0.70 ALDH1A1 (0.54) KDM4EGAAL3MBTL1MAPTCA12
SCHEMBL14950582 0.70 ALDH1A1 (0.54) KDM4EGAAL3MBTL1MAPTCA12
SCHEMBL6471904 0.69 CA12 (0.47) KDM4EGAAL3MBTL1MAPTCA12

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed