SCHEMBL6965168

SCHEMBL6965168

CO/C=C(\C(=O)OC)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL6965172 1.00 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL2812357 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL2812354 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL2997336 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL6966046 0.80 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL6966041 0.80 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL8653469 0.80 ALDH1A1 (0.53) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL9019998 0.80 CA1 (0.52) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL9019902 0.80 CA1 (0.47) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL9432434 0.80 CA1 (0.52) KDM4ESMN1; SMN2TDP1L3MBTL1ALDH1A1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed