SCHEMBL10337355

SCHEMBL10337355

CCCCCCOCC1CNCO1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.38
GBA1 P04062 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
PDK1 Q15118 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL3312647 0.82 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL10482100 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL9501546 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL16177 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL6376906 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL262010 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL6377533 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL12977796 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL260571 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1
SCHEMBL8901543 0.78 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHREPHX1

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
EP-0378657-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS. RAJADHYAKSHA VITHAL J 1990-07-25 EP disclosed
WO-1990000407-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS RAJADHYAKSHA VITHAL J (US) 1990-01-25 WO disclosed