SCHEMBL4903365

SCHEMBL4903365

CCC=CCCC(=O)OC1CCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP19A1 P11511 2/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
OXER1 Q8TDS5 2/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
NAAA Q02083 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4D Q08499 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL17892488 0.78 CHRM2 (0.37) CYP19A1MAPTNAAANR1I2PGR
SCHEMBL1472641 0.75 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL25232653 0.72 NAAA (0.50) ALDH1A1CYP19A1NAAAPRKCA
SCHEMBL27902575 0.69 NAAA (0.60) NAAAPRKCAKMT2A
SCHEMBL11547378 0.69 TDP1 (0.40) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL5985695 0.69 TDP1 (0.40) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL5463377 0.68 NAAA (0.41) ALDH1A1CYP19A1MAPTNAAANR1I2
SCHEMBL23352526 0.67 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2
SCHEMBL23352895 0.67 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2
SCHEMBL11941659 0.67 SGPL1 (0.35) ALDH1A1MAPTADORA3NR1I2PGR

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
EP-2907568-B1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF ENCAPSYS LLC (US) 2017-12-06 EP disclosed
EP-2907568-A1 A FRAGRANCE-DELIVERY COMPOSITION COMPRISING PERSULFATE ION-CROSSLINKED POLYVINYL ALCOHOL MICROCAPSULES AND METHOD OF USE THEREOF APPVION, INC. (US) 2015-08-19 EP disclosed
US-8440265-B2 Water- and heat-resistant scratch-and-sniff coating APPLETON PAPERS INC. (US) 2013-05-14 US disclosed
US-20080176781-A1 Perfumes for linear citrus release in rinse-off systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2008-07-24 US disclosed