SCHEMBL22444765

SCHEMBL22444765

O=C=NCCCCCCCCC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 3/20 0.37
NAAA Q02083 3/20 0.37
MIF P14174 1/20 0.37
BCAT2 O15382 1/20 0.37
ASAH1 Q13510 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL22444522 1.00 RIPK1 (0.42) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22444457 1.00 RIPK1 (0.42) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22444535 1.00 RIPK1 (0.42) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22444558 0.98 RIPK1 (0.43) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22444737 0.93 RIPK1 (0.44) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL21707505 0.88 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL10888693 0.81 HDAC3 (0.38) NAAAMIFSMN1; SMN2
SCHEMBL8434594 0.78 NAAA (0.33) NAAAMIF
SCHEMBL4382232 0.78 POLB (0.38) NAAA
SCHEMBL6047548 0.78 MIF (0.38) NAAAMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed