SCHEMBL6575680

SCHEMBL6575680

C=CC(CCCCC)OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 6/20 0.33
LPAR2 Q9HBW0 3/20 0.33
TSHR P16473 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
SCHEMBL27912286 0.81 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL28375256 0.79 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL16593610 0.78 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL5173144 0.78 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL37928 0.78 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL31249514 0.78 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL16593669 0.77 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL16593521 0.77 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL16593511 0.77 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL6563001 0.76 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed