SCHEMBL30128951

SCHEMBL30128951

Cc1cc(OC(=O)OC(C)(C)C)n(-c2ccc(O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
ELANE P08246 1/20 0.37
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GAA P10253 2/20 0.35
PTGS2 P35354 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY1 P47900 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL314157 0.72 MAPT (0.46) POLBMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL20320311 0.71 NTRK1 (0.56) POLBL3MBTL1ALDH1A1HPGDNTRK1
SCHEMBL9510331 0.70 POLB (0.61) POLBMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL4057059 0.69 ELANE (0.70) MAPTELANEKDM4EGAAKMT2A
SCHEMBL597831 0.69 MAPT (0.57) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL31617087 0.69 KMT2A (0.52) POLBMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL3850358 0.68 NTRK1 (0.55) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL31617053 0.68 KMT2A (0.51) POLBMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL1877271 0.67 SMN1; SMN2 (0.52) POLBMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL11689824 0.66 CYP1A2 (0.68) POLBMAPTL3MBTL1ALDH1A1HPGD

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-113336704-B Danshensu derivative and preparation method and medical application thereof 上海大学 2022-10-11 CN disclosed