SCHEMBL24632222

SCHEMBL24632222

CC(C)=CCC/C(C)=C/CC[C@@]1(C)CCc2c(O)cc3c(c2O1)CN(CCCCN(C)Cc1c(C=O)cc(O)c2c1OC(C)CC2)C3=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 19/20 0.39
▸ NR1I2 O75469 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL24632197 0.88 ALOX5 (0.43) ALOX5NR1I2PPARGPPARA
SCHEMBL24632221 0.83 ALOX5 (0.49) ALOX5NR1I2PPARGPPARA
SCHEMBL15744226 0.72 ALOX5 (0.54) ALOX5NR1I2PPARGPPARA
SCHEMBL13746651 0.71 APP (0.35) ALOX5
SCHEMBL24221316 0.71 ALOX5 (0.44) ALOX5NR1I2PPARGPPARA
SCHEMBL21972850 0.70 ALOX5 (0.61) ALOX5NR1I2PPARGPPARA
SCHEMBL22863234 0.68 ALOX5 (0.36) ALOX5NR1I2
SCHEMBL23941206 0.68 ALOX5 (0.36) ALOX5NR1I2
SCHEMBL21538195 0.67 ALOX5 (0.35) ALOX5
SCHEMBL22863201 0.67 ALOX5 (0.35) ALOX5

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-2022171151-A1 SMTP-7 DERIVATIVE AND USE THEREOF 上海森辉医药有限公司 2022-08-18 — — WO disclosed
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