SCHEMBL19901455

SCHEMBL19901455

CC(C)C(=O)OCCOC(=O)CCC(=O)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL92977 0.82 ALDH1A1 (0.55) MGLLALDH1A1TP53CYP3A4
SCHEMBL471906 0.82 ALDH1A1 (0.55) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL19901454 0.81 ALDH1A1 (0.47) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL12880053 0.81 LMNA (0.50) MGLLALDH1A1LMNAPOLB
SCHEMBL10701876 0.78 ALDH1A1 (0.71) MGLLALDH1A1TP53CYP3A4
SCHEMBL14566238 0.78 ALDH1A1 (0.41) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL28408580 0.78 ALDH1A1 (0.47) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL10071465 0.78 ALDH1A1 (0.50) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL31474079 0.78 ALDH1A1 (0.55) MGLLALDH1A1LMNAPOLBTP53
SCHEMBL28816884 0.76 ALDH1A1 (0.56) ALDH1A1

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-9905768-B2 Semiconductor device and insulating layer-forming composition FUJIFILM CORPORATION (JP) 2018-02-27 — — US disclosed
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