SCHEMBL887260

SCHEMBL887260

CC(CCCCCCCC(=O)O)C(=O)OC1CCN(C)C(C)(C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
ACE P12821 2/20 0.34
REN P00797 1/20 0.34
PTGER4 P35408 7/20 0.33
PTGER3 P43115 6/20 0.33
PTGER2 P43116 6/20 0.33
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31

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
SCHEMBL29002356 0.92
SCHEMBL29000494 0.85 PTGER4 (0.30) PTGER4PTGER3PTGER2TSHRHIF1A
SCHEMBL8671334 0.85 PTGER4 (0.30) PTGER4PTGER3PTGER2TSHRHIF1A
SCHEMBL861890 0.83 SMN1; SMN2 (0.39) TSHR
SCHEMBL29044933 0.81
SCHEMBL29120708 0.76 TSHR (0.34) TSHR
SCHEMBL29176326 0.76 SMN1; SMN2 (0.32)
SCHEMBL29031126 0.76 MEN1 (0.37) HIF1ALMNAALDH1A1
SCHEMBL28984897 0.75 DPP4 (0.32)
SCHEMBL4421431 0.74 FFAR4 (0.31) FFAR4FFAR1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405886-A1 TOPICAL PERSONAL CARE AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
WO-2010105052-A1 TOPICAL PERSONAL CARE AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed