SCHEMBL29020567

SCHEMBL29020567

CC(C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
HPN P05981 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
VCAM1 P19320 7/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
HMGCR P04035 2/20 0.38

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
SCHEMBL28911347 0.88 ATM (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL27501224 0.85 CA2 (0.53) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL490766 0.83 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL4784134 0.82 TDP1 (0.44) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6056065 0.82 CA2 (0.42) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL490322 0.81 HMGCR (0.44) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL30559748 0.81 HMGCR (0.44) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9458187 0.80 HPGD (0.41) ALDH1A1POLBMAPTALOX15GAA
SCHEMBL8626604 0.79 HMGCR (0.40) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1894653 0.79 HMGCR (0.40) CA2CA1ALDH1A1SMN1; SMN2POLB

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
CN-114957978-B Method for recycling fishing net nylon 6 through granulating machine and regenerated fishing net nylon 6 宁波坚锋新材料有限公司 2023-06-23 CN disclosed