SCHEMBL21538194

SCHEMBL21538194

CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCCC(C)C)C3=O)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.36
▸ APP P05067 2/20 0.35
▸ AKT1 P31749 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ NR1H4 Q96RI1 2/20 0.31
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL21538195 0.98 ALOX5 (0.35) ALOX5APPAKT1PTPN1NR1H4
SCHEMBL22863233 0.94 ALOX5 (0.35) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL23941689 0.94 ALOX5 (0.35) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL13746651 0.94 APP (0.35) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL9880204 0.93 ALOX5 (0.45) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL9880202 0.93 ALOX5 (0.45) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL9880205 0.90 ALOX5 (0.44) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL23941207 0.90 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL24619629 0.90 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL9880206 0.90 ALOX5 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49351-E1 Cytoprotective agent BIOGEN MA INC. (US) 2023-01-03 — — US disclosed
US-RE47684-E1 Cytoprotective agent TMS CO., LTD. (JP) 2019-11-05 — — US disclosed
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