SCHEMBL20712480

SCHEMBL20712480

CC(=O)Oc1ccc(SSc2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ELANE P08246 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PREP P48147 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
CELA1 Q9UNI1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL942837 0.92 LMNA (0.61) LMNAMAPTPOLBPKMELANE
4-Acetoxyphenol SCHEMBL203149 0.88 LMNA (0.67) LMNAMAPTPOLBPKMELANE
4-Acetoxyphenol SCHEMBL27952470 0.86 LMNA (0.64) LMNAMAPTPOLBPKMELANE
4-Acetoxyphenol SCHEMBL27671868 0.86 LMNA (0.64) LMNAMAPTPOLBPKMELANE
SCHEMBL20712501 0.85 LMNA (0.53) LMNAMAPTPOLBPKMELANE
SCHEMBL19540520 0.85 ELANE (0.61) LMNAMAPTPOLBPKMELANE
SCHEMBL181396 0.82 MEN1 (0.61) LMNAMAPTPOLBPKMELANE
SCHEMBL6853303 0.82 HSD17B10 (0.66) LMNAMAPTPOLBPKMELANE
SCHEMBL24171804 0.80 THRB (0.50) LMNAMAPTPOLBPKMELANE
SCHEMBL13057613 0.80 ELANE (0.71) LMNAMAPTPOLBPKMELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633487-B2 Inherently healing polycarbonate resins SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-04-28 US disclosed
US-20190040194-A1 INHERENTLY HEALING POLYCARBONATE RESINS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2019-02-07 US disclosed