SCHEMBL6970706

SCHEMBL6970706

CC(=O)C(NC(=O)O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL6967366 0.78 KDM4E (0.39) KDM4ETHRBRECQLMAPTALOX15
SCHEMBL4981183 0.75 FFAR3 (0.35) FFAR3LCKFYNKDM4ETHRB
SCHEMBL24042401 0.73 ALDH1A1 (0.41) KDM4ETHRBRECQLMAPTALOX15
SCHEMBL12959118 0.73 CRBN (0.41) ALOX15NFKB1THPOBLMALDH1A1
SCHEMBL1696899 0.73
SCHEMBL15740599 0.73
SCHEMBL3743107 0.73
SCHEMBL9336407 0.71 KDM4E (0.44) FFAR3LCKFYNKDM4ETHRB
SCHEMBL13049754 0.69 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2CYP2D6CYP2C19ALDH1A1
SCHEMBL15905135 0.69 ALDH1A1 (0.48) MAPTALDH1A1

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