SCHEMBL6966046

SCHEMBL6966046

COC=C(C(=O)OC)c1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6966041 1.00 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL6965168 0.80 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL6965172 0.80 KDM4E (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL2812357 0.80 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL2997336 0.80 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL2812354 0.80 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1L3MBTL1TSHR
SCHEMBL129118 0.74 TSHR (0.57) SMN1; SMN2TDP1L3MBTL1TSHRMAPT
SCHEMBL9019942 0.73 KDM4E (0.46) KDM4ESMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL9334916 0.72 NPC1 (0.49) KDM4ESMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL9334924 0.72 NPC1 (0.49) KDM4ESMN1; SMN2LMNAALDH1A1MEN1

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