SCHEMBL7127945

SCHEMBL7127945

C=C(C)OC(=O)C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TET2 Q6N021 1/20 0.30

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
SCHEMBL1417405 0.83 TDP1 (0.52) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL12855654 0.82 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL27953091 0.80 ALDH1A1 (0.50) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL31453460 0.78 ALDH1A1 (0.47) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL8166428 0.76 TSHR (0.36) ALDH1A1TSHR
SCHEMBL7756692 0.76 HSD17B10 (0.50) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL7756701 0.76 HSD17B10 (0.50) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL24177826 0.75 HSD17B10 (0.44) TDP1HSD17B10ALDH1A1
SCHEMBL4181073 0.72 TSHR (0.35) HSD17B10ALDH1A1TSHR
SCHEMBL11336149 0.72 HSD17B10 (0.46) TDP1HSD17B10

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
JP-2003034666-A METHOD FOR PRODUCING ALLYL METHACRYLATE MITSUBISHI GAS CHEM CO INC 2003-02-07 JP disclosed