SCHEMBL7136109

SCHEMBL7136109

C(CCOCC1CO1)COCC1CO1.CCCC(OCC1CO1)OCC1CO1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TDP1 Q9NUW8 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.38
PDK1 Q15118 1/20 0.35
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL18111 0.88 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Water SCHEMBL10962120 0.86 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL9630516 0.85 SMN1; SMN2 (0.55) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16423572 0.84 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16424487 0.83 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16423614 0.83 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL29069306 0.82 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16423693 0.82 SMN1; SMN2 (0.61) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8975577 0.81 ALDH1A1 (0.66) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16423873 0.81 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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