SCHEMBL3393335

SCHEMBL3393335

CCOCCOCCOC(=O)CCC(=O)CN

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.60
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 2/20 0.42
DGKA P23743 1/20 0.40
CYP1A2 P05177 1/20 0.40
EPHX2 P34913 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
GABRR1 P24046 1/20 0.38
MAPT P10636 2/20 0.37
BLM P54132 1/20 0.37
CNR1 P21554 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
Hydrochloric Acid SCHEMBL1177554 0.98 HTR2C (0.58) HTR2CKDM4ELMNAALDH1A1TSHR
SCHEMBL3819574 0.98 HTR2C (0.62) HTR2CKDM4ELMNAALDH1A1TSHR
SCHEMBL3879046 0.87 ALDH1A1 (0.60) HTR2CALDH1A1TSHRTHRBDGKA
SCHEMBL2303872 0.87 ALDH1A1 (0.60) HTR2CALDH1A1TSHRTHRBDGKA
SCHEMBL5356898 0.86 HTR2C (0.56) HTR2CKDM4ELMNAALDH1A1TSHR
SCHEMBL13098013 0.84 HTR2C (0.66) HTR2CKDM4ELMNAALDH1A1TSHR
SCHEMBL1301905 0.84 ALDH1A1 (0.62) HTR2CALDH1A1TSHRTHRBDGKA
Hydrochloric Acid SCHEMBL4492210 0.84 KDM4E (0.56) HTR2CKDM4ELMNATSHRDGKA
SCHEMBL12611805 0.83 HTR2C (0.71) HTR2CKDM4ELMNAALDH1A1THRB
SCHEMBL23049673 0.83 ALDH1A1 (0.56) HTR2CALDH1A1TSHRTHRBDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7287646-B2 Esters of 5-aminolevulinic acid and their use as photosensitizing compounds in photochemotherapy PHOTOCURE ASA (NO) 2007-10-30 US claimed
US-20050107471-A1 NEW ESTERS OF 5-AMINOLEVULINIC ACID AND THEIR USE AS PHOTOSENSITIZING COMPOUNDS IN PHOTOCHEMOTHERAPY GIERSKCKY KARL E (NO) 2005-05-19 US claimed
US-8546447-B2 Treatment of acne using derivatives of 5-aminolevulinic acid PHOTOCURE ASA (NO) 2013-10-01 US disclosed
US-20130066256-A1 Treatment of Acne Using Derivatives of 5-Aminolevulinic Acid PHOTOCURE ASA (NO) 2013-03-14 US disclosed
US-8235974-B2 Method for hair removal ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2012-08-07 US disclosed
EP-1814534-B1 DERIVATIVES OF 5-AMINOLEVULINIC ACID FOR THE TREATMENT OF ACNE PHOTOCURE ASA (NO) 2010-06-02 EP disclosed
EP-1443891-B1 METHOD FOR HAIR REMOVAL ECOLE POLYTECH (CH) 2009-03-25 EP disclosed
US-20080188558-A1 Treatment of Acne Using Derivatives of 5-Aminolevulinic Acid PHOTOCURE ASA (NO) 2008-08-07 US disclosed
EP-1814534-A1 TREATMENT OF ACNE USING DERIVATIVES OF 5-AMINOLEVULINIC ACID Photocure ASA (NO) 2007-08-08 EP disclosed
WO-2006051269-A1 TREATMENT OF ACNE USING DERIVATIVES OF 5-AMINOLEVULINIC ACID PHOTOCURE ASA (NO) 2006-05-18 WO disclosed
US-20050124984-A1 Method for hair removal ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-09 US disclosed
EP-1443891-A2 METHOD FOR HAIR REMOVAL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-08-11 EP disclosed
WO-2003041673-A2 METHOD FOR HAIR REMOVAL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2003-05-22 WO disclosed