SCHEMBL4780402

SCHEMBL4780402

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CYP19A1 P11511 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SERPINE1 P05121 2/20 0.34
NAAA Q02083 2/20 0.34
CYP2C19 P33261 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
SCHEMBL28445297 0.89 MEN1 (0.40) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL21180108 0.89 CYP19A1 (0.50) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL23270918 0.83 NAAA (0.50) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL872809 0.82 CYP2C19 (0.53) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL23270906 0.82 CYP2C19 (0.53) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL23270910 0.82 CYP2C19 (0.53) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL3186018 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL4778991 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL23270922 0.79 NAAA (0.46) ALDH1A1APOBEC3AAPOBEC3GMMP1MMP2
SCHEMBL23518555 0.78 MMP1 (0.41) ALDH1A1APOBEC3AAPOBEC3GMMP1MMP2

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