SCHEMBL7520729

SCHEMBL7520729

CCC(COCC1CO1)CC(C)COCC1CO1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 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
SCHEMBL7525291 0.89 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7519039 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL13444950 0.85 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL4347990 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7521567 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL7526417 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL49463 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL14440373 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28560049 0.79 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL21895715 0.78 ALDH1A1 (0.59) 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