SCHEMBL11069072

SCHEMBL11069072

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
GLO1 Q04760 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
GAA P10253 3/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 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
SCHEMBL286131 0.73 NPSR1 (0.42) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL15730797 0.69 NPSR1 (0.61) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL15709071 0.69 NPSR1 (0.61) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL15709069 0.69 NPSR1 (0.61) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL554289 0.68 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL598483 0.68 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL7772643 0.68 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL5455571 0.66 NPSR1 (0.42) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1
SCHEMBL28061117 0.66 HCAR2 (0.46) NPSR1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28134967 0.66 NPSR1 (0.50) NPSR1ALDH1A1SMN1; SMN2CYP2D6EGLN1

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
US-4476132-A Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed