SCHEMBL727614

SCHEMBL727614

CN1C(C)(C)CC(OC(=O)CCC(CCCCCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NAAA Q02083 2/20 0.32
PTGER2 P43116 5/20 0.31
PTGER4 P35408 4/20 0.31
PTGER3 P43115 4/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL27921870 0.88 TSHR (0.37) SMN1; SMN2FFAR4FFAR1ALDH1A1NAAA
SCHEMBL28003722 0.88 FFAR4 (0.41) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL846324 0.85 NAAA (0.43) SMN1; SMN2ALDH1A1NAAATSHRLMNA
SCHEMBL27261571 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NAAATSHRLMNAMEN1
SCHEMBL11260278 0.83 LMNA (0.30) LMNAMEN1GAAKMT2A
Sebacic Acid SCHEMBL28259015 0.81 TSHR (0.41) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL28176629 0.81 SMN1; SMN2 (0.37) SMN1; SMN2FFAR4FFAR1ALDH1A1NAAA
SCHEMBL28480583 0.81 TSHR (0.49) SMN1; SMN2ALDH1A1NAAATSHRLMNA
SCHEMBL28247100 0.81 FFAR4 (0.40) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL207971 0.81 FFAR4 (0.35) FFAR4FFAR1ALDH1A1PTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4733898-B2 2011-07-27 JP claimed
EP-1263855-A1 STABILIZER MIXTURES FOR POLYOLEFINS Ciba SC Holding AG (CH) 2002-12-11 EP claimed
WO-2001062836-A1 STABILIZER MIXTURES FOR POLYOLEFINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-30 WO claimed