SCHEMBL7575764

SCHEMBL7575764

CC(C)(C)C(=O)OCCCCc1ccc(CCCCOC(=O)C(C)(C)C)c(C#N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ELANE P08246 3/20 0.32
▸ PRKCA P17252 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GBA1 P04062 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL7575685 0.77 ALDH1A1 (0.36) ALDH1A1CYP2C19
SCHEMBL5465572 0.75 TDP1 (0.63) ALDH1A1TDP1KMT2AMAPK1
SCHEMBL27819169 0.73 POLB (0.46) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL3935097 0.72 LMNA (0.56) POLBMAPTTDP1RECQL
SCHEMBL7580544 0.71 CYP4F2 (0.54) GAAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL29049106 0.71 POLB (0.44) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL17694457 0.71 MEN1 (0.42) POLBGAANPSR1BRD4PRKCA
Hydrochloric Acid SCHEMBL29148798 0.70 BRD4 (0.35) POLBGAANPSR1ALDH1A1BRD4
Bromide SCHEMBL29148801 0.70 BRD4 (0.35) POLBGAANPSR1ALDH1A1BRD4
Iodide SCHEMBL29148799 0.70 BRD4 (0.35) POLBGAANPSR1ALDH1A1BRD4

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-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 — — WO disclosed
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