SCHEMBL11388461

SCHEMBL11388461

CCCCCC(=O)/C=C/C[C@H](C)CCCC(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ POLA1 P09884 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ APP P05067 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ OXER1 Q8TDS5 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL11397306 0.80 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4TDP1ACE2
SCHEMBL11804227 0.79 CYP3A4 (0.47) PPARGPPARAALDH1A1LMNACYP3A4
SCHEMBL11402166 0.78 LMNA (0.44) ALDH1A1LMNACYP3A4TDP1MAPK1
SCHEMBL11391703 0.77 GPR52 (0.51) ALDH1A1LMNACYP3A4MEN1MAPK1
SCHEMBL11402433 0.77 MAPT (0.42) PPARGTRPA1ALDH1A1FAAH
SCHEMBL11394701 0.77 MAPT (0.42) PPARGTRPA1ALDH1A1FAAH
SCHEMBL11402446 0.77 MAPT (0.42) PPARGTRPA1ALDH1A1FAAH
SCHEMBL11407909 0.76 HPGD (0.46) PPARAALDH1A1TDP1MEN1KMT2A
SCHEMBL11862560 0.76 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1KDM4E
SCHEMBL11862556 0.76 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4TDP1KDM4E

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
EP-0026876-A1 N-phenoxyalkylpiperidine derivatives, processes for their preparation and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1981-04-15 — — EP disclosed
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