SCHEMBL30678564

SCHEMBL30678564

CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.38
▸ ALOX5 P09917 5/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ACHE P22303 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
SCHEMBL2624847 1.00 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL2624846 1.00 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL2624862 1.00 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL2624816 0.93 ALOX5 (0.33) APPALOX5
SCHEMBL22863219 0.86 PTPN2 (0.42) APPALOX5BACE1PTPN1
SCHEMBL908611 0.84 ST6GAL1 (0.41) APPALOX5ABCG2NR1H4BACE1
SCHEMBL30678560 0.84 NR1H4 (0.32) APPALOX5NR1H4BACE1PTPN1
SCHEMBL21538203 0.83 ALOX5 (0.52) ALOX5
SCHEMBL29406154 0.83 APP (0.37) APPALOX5ABCG2NR1H4BACE1
SCHEMBL24619670 0.82 APP (0.34) APPNR1H4BACE1PTPN1ACHE

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-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2023-11-23 — — WO disclosed
Send feedback