SCHEMBL30355290

SCHEMBL30355290

COc1ccc2cc(C(C)O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.66
AKR1C3 P42330 6/20 0.64
AKR1C2 P52895 6/20 0.64
PTGS2 P35354 3/20 0.64
PTGS1 P23219 3/20 0.64
TSHR P16473 2/20 0.64
CYP1A2 P05177 2/20 0.64
CDC42 P60953 1/20 0.64
RAC1 P63000 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
UGT2B7 P16662 1/20 0.62
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
ALOX5 P09917 2/20 0.55
AKR1C1 Q04828 1/20 0.54

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
SCHEMBL2423910 1.00 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23255697 1.00 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9120097 1.00 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL13486840 0.85 CYP11B1 (0.60) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5610446 0.85 UGT2B7 (0.82) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL13594625 0.85 ABCB11 (0.62) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL20398797 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL487168 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29365195 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30640494 0.83 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041531-B Brain-targeted anti-angiogenesis polypeptide and nano micelle material thereof 山东大学 2024-06-18 CN claimed
CN-116041531-A Brain-targeted anti-angiogenesis polypeptide and nano micelle material thereof 山东大学 2023-05-02 CN claimed
CN-116041531-B Brain-targeted anti-angiogenesis polypeptide and nano micelle material thereof 山东大学 2024-06-18 CN disclosed
CN-116041531-A Brain-targeted anti-angiogenesis polypeptide and nano micelle material thereof 山东大学 2023-05-02 CN disclosed