SCHEMBL4778563

SCHEMBL4778563

CC(=O)CCC(=O)OC1CCCCC1OC(=O)CCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC18A3 Q16572 1/20 0.38
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
SLC15A2 Q16348 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SERPINE1 P05121 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL26393482 0.93 NAAA (0.38) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL4777300 0.88 NAAA (0.47) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL4778583 0.88 NAAA (0.51) NAAASLC18A3CYP19A1SMN1; SMN2
SCHEMBL5613412 0.82 NAAA (0.61) NAAAALDH1A1CYP19A1LMNASMN1; SMN2
SCHEMBL26393505 0.81 CHRM2 (0.39) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL13003077 0.81 CHRM2 (0.39) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL3189185 0.81 NAAA (0.52) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL3189181 0.81 NAAA (0.52) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL29315040 0.79 SLC18A3 (0.47) NAAAALDH1A1SLC18A3CYP19A1MEN1
SCHEMBL28446549 0.78 NAAA (0.62) NAAASLC18A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO claimed
CN-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO disclosed