SCHEMBL5655124

SCHEMBL5655124

CC(=O)c1cc(C(C)=O)cc(C(=O)NCCCCCCCC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.68
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
FABP4 P15090 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
ADRA1A P35348 1/20 0.56
PRMT1 Q99873 1/20 0.50
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48

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
SCHEMBL24316125 0.90 MAPK1 (0.76) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL27563409 0.86 LMNA (0.68) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18409238 0.84 FABP4 (0.77) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL11025784 0.82 POLB (0.71) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL5655267 0.82 POLB (0.71) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13823016 0.81 MAPK1 (0.64) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL428355 0.81 MAPK1 (1.00) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13593289 0.81 POLB (0.60) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13593351 0.81 LMNA (0.74) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL10034910 0.81 MAPK1 (0.68) MAPK1POLBSMN1; SMN2CYP1A2CYP2C9

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-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed