SCHEMBL9307867

SCHEMBL9307867

CC1C(=O)OC(C)(C(=O)O)C1C.CC1CC(=O)OC1(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
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
SCHEMBL5763756 0.87 LMNA (0.38) ALDH1A1LMNATSHR
SCHEMBL9145674 0.85
SCHEMBL16904971 0.66
SCHEMBL13327624 0.66
SCHEMBL6059815 0.66
SCHEMBL2804462 0.66 POLB (0.33)
SCHEMBL2597029 0.63 PTGS1 (0.54) LMNATSHR
SCHEMBL2140315 0.63 PTGS1 (0.54) LMNATSHR
SCHEMBL546932 0.60 LMNA (0.59) ALDH1A1LMNATSHR
SCHEMBL11636685 0.60 ALOX15 (0.34) ALDH1A1LMNA

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
US-5284681-A Bringing into contact with water, drying in air SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-08 US disclosed