SCHEMBL8859002

SCHEMBL8859002

C(OCC1CO1)C1CO1.CCCCCCC(C)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.42
ACE2 Q9BYF1 1/20 0.40
MAPK1 P28482 1/20 0.39
ENPP2 Q13822 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL8671260 1.00 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL8674186 0.98 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL8672267 0.98 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL27475879 0.90 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL27472089 0.90 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL8669169 0.90 ALDH1A1 (0.72) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL28525794 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL17559518 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL10942415 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRACE2
SCHEMBL812355 0.88 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2TSHRACE2

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-1997022651-A1 NONIONIC SURFACTANTS AND CARRIERS FROM FATTY CLYCIDYL ETHERS THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO disclosed