SCHEMBL7520727

SCHEMBL7520727

C(OCC1CO1)C1CO1.CCC(CO)CC(C)CO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TRPA1 O75762 1/20 0.33

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
SCHEMBL7525287 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7519033 0.86 TSHR (0.44) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL14891221 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7521562 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7526414 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL49462 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL14440373 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7529239 0.79 TSHR (0.38) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL218942 0.78 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL415847 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911326-B1 DIGLYCIDYL ETHERS KYOWA YUKA KK (JP) 2002-01-30 EP disclosed
US-6048956-A DIGLYCIDYL ETHERS OF DIOLS KYOWA YUKA CO., LTD. (JP) 2000-04-11 US disclosed
EP-0911326-A1 DIGLYCIDYL ETHERS Kyowa Yuka Co., Ltd. (JP) 1999-04-28 EP disclosed