SCHEMBL4777300

SCHEMBL4777300

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.37
SLC18A3 Q16572 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
PRKCA P17252 5/20 0.35
MEN1 O00255 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
SCHEMBL4778583 0.96 NAAA (0.51) NAAASMN1; SMN2SLC18A3CYP19A1EPHX2
SCHEMBL4778563 0.88 NAAA (0.42) NAAASMN1; SMN2SLC18A3CYP19A1LMNA
SCHEMBL11006772 0.83 NAAA (0.67) NAAASMN1; SMN2TSHRCYP19A1LMNA
SCHEMBL28446549 0.82 NAAA (0.62) NAAASMN1; SMN2SLC18A3PRKCA
SCHEMBL28446547 0.82 NAAA (0.62) NAAASMN1; SMN2SLC18A3PRKCA
SCHEMBL3189677 0.81 NAAA (0.71) NAAALMNAPRKCA
SCHEMBL19150294 0.81 CYP19A1 (0.53) NAAASMN1; SMN2TSHRSLC18A3CYP19A1
SCHEMBL3189683 0.81 NAAA (0.71) NAAALMNAPRKCA
SCHEMBL3179079 0.79 NAAA (0.74) NAAALMNAPRKCA
SCHEMBL3179072 0.79 NAAA (0.74) NAAALMNAPRKCA

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