SCHEMBL886836

SCHEMBL886836

CCCCCOCC1COCC(C)OO1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.44
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
PDK1 Q15118 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
SCHEMBL886840 0.81 CHRM2 (0.36) ALDH1A1TDP1SMN1; SMN2TSHRPDK1
SCHEMBL57110 0.75 ALDH1A1 (0.96) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL7752331 0.75 ALDH1A1 (0.96) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL11048049 0.75 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL10337390 0.73 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL262010 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL260571 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
Methane SCHEMBL6431114 0.73 ALDH1A1 (0.92) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL8901543 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL12977796 0.73 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2

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
EP-1205535-B1 CLOGGING INHIBITOR FOR OIL FILTERS, METHOD FOR INHIBITING THE CLOGGING OF OIL FILTERS AND ENGINE OIL COMPOSITIONS CONTAINING THE INHIBITOR NEW JAPAN CHEM CO LTD (JP) 2011-11-23 EP disclosed