SCHEMBL5276331

SCHEMBL5276331

CCC(CC)(CC)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
DUT P33316 1/20 0.32
PKM P14618 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
THRB P10828 2/20 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
SCHEMBL4578255 0.87 KDM4E (0.36) FFAR3KDM4EPKM
SCHEMBL15972133 0.87 KDM4E (0.36) FFAR3KDM4EPKM
SCHEMBL8853319 0.85 L3MBTL1 (0.32) ALDH1A1L3MBTL1
SCHEMBL3809015 0.78 ALDH1A1 (0.40) FFAR3ALDH1A1MGAMGAASI
SCHEMBL25352587 0.78 PAOX (0.38) ALDH1A1TSHRPKMCYP2C19THRB
SCHEMBL7562947 0.77 FFAR3 (0.35) FFAR3KDM4EALDH1A1MGAMGAA
SCHEMBL14366070 0.77 KDM4E (0.40) KDM4EALDH1A1TSHRL3MBTL1DUT
SCHEMBL23504 0.74
SCHEMBL19546262 0.74 KMT2A (0.40) FFAR3KDM4EALDH1A1GAAHPGD
SCHEMBL11406496 0.74 LMNA (0.33) TSHRDUTCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504267-B1 SOLID-PHASE ASSISTED SPECTROSCOPIC AND SPECTROMETRIC ANALYSIS OF COMPLEX BIOPOLYMER MIXTURES PROTEOME FACTORY AG (DE) 2007-12-12 EP claimed
EP-1504267-A1 SOLID-PHASE ASSISTED SPECTROSCOPIC AND SPECTROMETRIC ANALYSIS OF COMPLEX BIOPOLYMER MIXTURES Proteome Factory AG (DE) 2005-02-09 EP claimed
WO-2003096021-A1 SOLID-PHASE ASSISTED SPECTROSCOPIC AND SPECTROMETRIC ANALYSIS OF COMPLEX BIOPOLYMER MIXTURES PROTEOME FACTORY AG (DE) 2003-11-20 WO claimed
EP-1504267-B1 SOLID-PHASE ASSISTED SPECTROSCOPIC AND SPECTROMETRIC ANALYSIS OF COMPLEX BIOPOLYMER MIXTURES PROTEOME FACTORY AG (DE) 2007-12-12 EP disclosed