SCHEMBL7575685

SCHEMBL7575685

CC(C)(C)C(=O)CCCCc1ccc(CCCCC(=O)C(C)(C)C)c(C#N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FAAH O00519 4/20 0.36
▸ CES1 P23141 3/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ F13A1 P00488 3/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 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
SCHEMBL7575764 0.77 POLB (0.36) ALDH1A1CYP2C19
SCHEMBL7580544 0.71 CYP4F2 (0.54) ALDH1A1HPGDCYP1A2CYP2C19CYP4F2
SCHEMBL7573674 0.70 TSHR (0.49) ALDH1A1
SCHEMBL8920946 0.70 TSHR (0.49) ALDH1A1
SCHEMBL5309215 0.70 TSHR (0.49) ALDH1A1
SCHEMBL7717377 0.70 TSHR (0.49) ALDH1A1
SCHEMBL16640759 0.70 FAAH (0.46) ALDH1A1CYP1A2FAAHCES1HSD11B1
SCHEMBL10363727 0.69 FAAH (0.67) FAAHCES1
SCHEMBL19148811 0.68 FAAH (0.70) FAAHCES1
SCHEMBL13246809 0.68 FAAH (0.70) FAAHCES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 — — WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 — — EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 — — WO disclosed
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