SCHEMBL7136102

SCHEMBL7136102

C(OCC1CO1)C1CO1.CCC(CCCOCC1CO1)OCC1CO1.CCCCCC(O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.41
PDK1 Q15118 1/20 0.34
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL7136103 0.87 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16424050 0.87 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16390481 0.87 SMN1; SMN2 (0.58) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16424103 0.85 ALDH1A1 (0.68) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16632796 0.85 TSHR (0.58) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16424451 0.84 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16424382 0.84 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16424215 0.84 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL16423873 0.84 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL37927 0.84 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2TSHR

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-6503979-B1 Production of diapers, tampons, sanitary towels and other hygiene articles BASF AKTIENGESELLSCHAFT (DE) 2003-01-07 US disclosed