SCHEMBL31418752

SCHEMBL31418752

COc1cc(N(c2cc(OC)c(OC)c(OC)c2OC)c2cc(OC)c(OC)c(OC)c2OC)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 1/20 0.41
ATM Q13315 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8944005 0.82 TUBB4A (0.43) ACHEMAPTCA9PTGS2KDM4E
SCHEMBL679526 0.79 ACHE (0.60) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL30835564 0.70 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL1243920 0.70 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL2150808 0.68 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL31746118 0.68 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL28363777 0.68 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL11859921 0.68 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL9768502 0.68 CYP3A4 (0.58) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL9348470 0.68 ACHE (0.48) ACHECYP3A4MAPTCA9PTGS2

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-119264026-A Method for synthesizing cyclic sulfonamide and sulfonyl olefin by mechanical light excitation 西北大学 2025-01-07 CN claimed
CN-119264026-A Method for synthesizing cyclic sulfonamide and sulfonyl olefin by mechanical light excitation 西北大学 2025-01-07 CN disclosed