SCHEMBL4778909

SCHEMBL4778909

CCCCCC(C)C(=O)OC1CCCCC1OC(=O)C(C)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
NAAA Q02083 3/20 0.42
CCR2 P41597 1/20 0.42
ACE2 Q9BYF1 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
ABCB1 P08183 1/20 0.36
FDPS P14324 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4781179 0.95 NAAA (0.40) CA1NAAACCR2TSHRFDPS
SCHEMBL28445226 0.94 NAAA (0.42) CA1NAAACCR2ACE2ZDHHC7
SCHEMBL4781335 0.88 CHRM2 (0.37) NAAAALDH1A1KMT2A
SCHEMBL5052877 0.86 NAAA (0.37) NAAATSHRALDH1A1KMT2A
SCHEMBL8856255 0.85 NAAA (0.57) CA1NAAACCR2ACE2ZDHHC7
SCHEMBL7218260 0.85 NAAA (0.55) CA1NAAACCR2ACE2ZDHHC7
SCHEMBL27781082 0.84 NAAA (0.33) CA1NAAACCR2ACE2TSHR
SCHEMBL7222848 0.84 NAAA (0.58) CA1NAAACCR2ACE2ZDHHC7
SCHEMBL27200276 0.83 CA1 (0.48) CA1NAAACCR2ACE2ZDHHC7
Ammonia Solution, Strong SCHEMBL27918763 0.83 NAAA (0.56) CA1NAAACCR2ACE2ZDHHC7

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