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SCHEMBL31114965

SCHEMBL31114965

CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCC[C@@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](O)C5)C2=O)C3=O)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.36
▸ APP P05067 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ NR1H4 Q96RI1 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ PSEN1 P49768 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ NR1I2 O75469 1/20 0.30

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
SCHEMBL29381348 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL30673511 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29725684 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29403553 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL30067164 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL30678552 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL24632196 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL2624852 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29330492 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL13663954 1.00 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1

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
WO-2023221797-A9 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2025-02-13 — — WO disclosed
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