SCHEMBL29763160

SCHEMBL29763160

CCOc1cc(OCC)c(O)c(-c2cc(OCC)cc(OCC)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ NQO1 P15559 1/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADRA2A P08913 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ STK17B O94768 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35

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
SCHEMBL28827562 1.00 KDM4E (0.43) KDM4ENQO1LTA4HADORA3TSHR
SCHEMBL31376349 0.89 KDM4E (0.47) KDM4ENQO1LTA4HADORA3TSHR
SCHEMBL8990168 0.79 KDM4E (0.39) KDM4ETSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL31499448 0.76 ERN1 (0.57) KDM4EALDH1A1LMNAMAPTERN1
SCHEMBL4959311 0.76 TSHR (0.51) KDM4ETSHRCYP3A4ALDH1A1LMNA
SCHEMBL27548080 0.76 ERN1 (0.57) KDM4EALDH1A1LMNAMAPTERN1
SCHEMBL8397164 0.75 CA2 (0.50) NQO1LTA4HTSHRCYP3A4ALDH1A1
SCHEMBL4959099 0.73 ADORA3 (0.46) KDM4ENQO1LTA4HADORA3TSHR
SCHEMBL6630377 0.73 NQO1 (0.48) KDM4ENQO1LTA4HADORA3TSHR
SCHEMBL10884933 0.73 ALDH1A1 (0.48) KDM4ETSHRCYP3A4ALDH1A1TP53

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
CN-114835751-A Phosphite ester-phosphate ester compound and preparation method and application thereof 江西苏克尔新材料有限公司 2022-08-02 — — CN disclosed
CN-114832860-A Olefin hydroformylation catalyst composition and preparation method and application thereof 江西苏克尔新材料有限公司 2022-08-02 — — CN disclosed
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