SCHEMBL6968613

SCHEMBL6968613

CO/C=C(\C(=O)OC)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6968615 1.00 KDM4E (0.34) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2812354 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2997336 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2812357 0.74 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL51251 0.73 TSHR (0.48) KDM4ETDP1L3MBTL1MAPTTSHR
SCHEMBL6965172 0.71 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL6965168 0.71 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL6972237 0.71 HIF1A (0.41) MAPTTSHR
SCHEMBL6972239 0.71 HIF1A (0.41) MAPTTSHR
SCHEMBL1426474 0.70 NPC1 (0.43) SMN1; SMN2L3MBTL1POLB

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