SCHEMBL3393178

SCHEMBL3393178

COCCOC(=O)CCC(=O)CN

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.61
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
GABRR1 P24046 1/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
DGKA P23743 1/20 0.39
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
DNM1 Q05193 1/20 0.30

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 SCHEMBL4487208 0.98 KDM4E (0.62) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL5356898 0.94 HTR2C (0.56) HTR2CKDM4ELMNAADRA2AADRA1A
Hydrochloric Acid SCHEMBL4492210 0.93 KDM4E (0.56) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL13098013 0.89 HTR2C (0.66) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL813361 0.85 ADRA2A (0.54) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL12611805 0.84 HTR2C (0.71) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL987127 0.82 HTR2C (0.73) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL2568519 0.81 TSHR (0.44) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL3819574 0.81 HTR2C (0.62) HTR2CKDM4ELMNAADRA2AADRA1A
SCHEMBL2883395 0.81

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 8 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
EP-1814534-B1 DERIVATIVES OF 5-AMINOLEVULINIC ACID FOR THE TREATMENT OF ACNE PHOTOCURE ASA (NO) 2010-06-02 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