SCHEMBL7415930

SCHEMBL7415930

CC(C)C[C@@H](C(=O)O)N1Cc2ccccc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.69
MAPT P10636 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
THRB P10828 2/20 0.67
KDM4E B2RXH2 2/20 0.67
POLB P06746 1/20 0.67
SDCBP O00560 7/20 0.60
SDC2 P34741 7/20 0.60
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
XIAP P98170 1/20 0.58
HKDC1 Q2TB90 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
STAT3 P40763 1/20 0.56

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
SCHEMBL7415929 1.00 ALOX15 (0.69) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL16266975 0.86 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL16266972 0.86 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL20014221 0.86 ALOX15 (0.72) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL21459413 0.84 LMNA (0.65) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL20116492 0.84 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL30506288 0.84 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL2177628 0.84 SDCBP (0.61) ALOX15MAPTSMN1; SMN2THRBKDM4E
SCHEMBL16267064 0.83 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL16267065 0.83 ALOX15 (0.74) ALOX15MAPTSMN1; SMN2KDM4ESDCBP

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
WO-2000002903-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 2000-01-20 WO disclosed