SCHEMBL27712657

SCHEMBL27712657

NC(=O)C1CC(C(=O)O)CCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.50
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.39
ELANE P08246 2/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL28221339 0.89 NOTUM (0.54) NOTUMAKR1C3AKR1C1KDM4ESMN1; SMN2
SCHEMBL31073529 0.81 NOTUM (0.53) NOTUMAKR1C3AKR1C1SMN1; SMN2L3MBTL1
SCHEMBL16205305 0.81 NOTUM (0.47) NOTUMAKR1C3AKR1C1KDM4ESMN1; SMN2
SCHEMBL3104046 0.81 L3MBTL1 (0.45) NOTUMALDH1A1NPSR1KDM4EL3MBTL1
SCHEMBL34462085 0.79 NOTUM (0.46) NOTUMALDH1A1NPSR1SMN1; SMN2L3MBTL1
SCHEMBL3347621 0.78 ELANE (0.54) ELANEPOLB
SCHEMBL2172636 0.78 ELANE (0.54) ELANEPOLB
SCHEMBL15665470 0.78 ELANE (0.54) ELANEPOLB
SCHEMBL5702089 0.77 NOTUM (0.49) NOTUMALDH1A1SMN1; SMN2
SCHEMBL5702158 0.77 NOTUM (0.49) NOTUMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107218-A Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-01-16 CN claimed
CN-101107218-A Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-01-16 CN disclosed