SCHEMBL547426

SCHEMBL547426

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 1/20 0.61
F7 P08709 3/20 0.59
F3 P13726 3/20 0.59
CYP19A1 P11511 3/20 0.59
MAPT P10636 2/20 0.59
NR1I2 O75469 2/20 0.59
PTGS2 P35354 2/20 0.59
OXER1 Q8TDS5 2/20 0.59
PTGS1 P23219 2/20 0.59
PPARG P37231 2/20 0.59
KMT2A Q03164 2/20 0.59
PPARD Q03181 2/20 0.59
PPARA Q07869 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL11483552 0.94 ADORA3 (0.59) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL547371 0.92 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL11483116 0.92 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL20446865 0.91 ADORA3 (0.54) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL4196457 0.91 ADORA3 (0.54) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL27589914 0.90 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL28290255 0.89 SOAT2 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL411308 0.89 SOAT2 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL411307 0.89 SOAT2 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL25252796 0.87 SOAT2 (0.57) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985415-B Xanthenedione derivatives for the treatment of pigmentation and skin aging disorders FABRE PIERRE DERMO COSMETIQUE 2015-07-01 CN disclosed
CN-104206955-A Lycium ruthenicum tablet for reducing blood fat GOU CHUNHU 2014-12-17 CN disclosed
CN-102985415-A Xanthenedione derivatives for the treatment of pigmentation and skin aging disorders FABRE PIERRE DERMO COSMETIQUE 2013-03-20 CN disclosed
US-20120103787-A1 Photochemical Method For Producing Hydrocarbons NECKERS DOUGLAS C (US) 2012-05-03 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed