SCHEMBL9799846

SCHEMBL9799846

CCOC(=O)c1c(OC)c(OC)c(C=C(C)c2ccc(OCC=C(C)C)cc2)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PTPN1 P18031 2/20 0.38
ALOX5 P09917 3/20 0.38
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL9800102 0.81 TDP1 (0.42) L3MBTL1TSHRTDP1MAPTPPARD
SCHEMBL9240945 0.79 HPGD (0.45) L3MBTL1TDP1MAPTPPARDPPARA
SCHEMBL9245384 0.79 HPGD (0.45) L3MBTL1TDP1MAPTPPARDPPARA
SCHEMBL9799811 0.79 HPGD (0.45) L3MBTL1TDP1MAPTPPARDPPARA
SCHEMBL384028 0.78 CA12 (0.53) L3MBTL1TDP1MAPTALDH1A1HSD17B10
SCHEMBL9243719 0.76 TSHR (0.45) L3MBTL1TSHRTDP1MAPTPPARD
SCHEMBL9243610 0.75 TDP1 (0.46) L3MBTL1TDP1MAPTPPARDPPARA
SCHEMBL8458466 0.73 PPARG (0.49) L3MBTL1TDP1MAPTPPARGALDH1A1
SCHEMBL8458464 0.73 PPARG (0.49) L3MBTL1TDP1MAPTPPARGALDH1A1
SCHEMBL9799788 0.72 MAOB (0.46) L3MBTL1TDP1MAPTPPARDPPARA

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
US-5068252-A Acids, esters, amides, alcohol and ether derivatives ALLERGAN, INC. (US) 1991-11-26 US disclosed
US-4992468-A Treatment of skin disorders ALLERGAN, INC. (US) 1991-02-12 US disclosed