SCHEMBL1574977

SCHEMBL1574977

CCCC(C)COC(=O)CCC(=O)CN

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GABRR1 P24046 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
PRKCA P17252 3/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 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 SCHEMBL1178042 0.98 HTR2C (0.51) HTR2CLMNAKDM4EMAPTTSHR
SCHEMBL1177295 0.93 HTR2C (0.47) HTR2CLMNAKDM4EMAPTTSHR
SCHEMBL28423604 0.88 MAPT (0.48) LMNAKDM4EMAPTTSHRCYP3A4
SCHEMBL1177408 0.82 CYP1A2 (0.42) HTR2CLMNAALDH1A1KMT2ACYP1A2
SCHEMBL27969426 0.81 MAPT (0.43) LMNAKDM4EMAPTTSHRCYP3A4
SCHEMBL25888303 0.81 MAPT (0.43) LMNAKDM4EMAPTTSHRCYP3A4
SCHEMBL27297441 0.80 MAPT (0.59) LMNAKDM4EMAPTTSHRCYP3A4
SCHEMBL1177410 0.80 HTR2C (0.36) HTR2CLMNAKDM4ECYP1A2
SCHEMBL22231527 0.79 MAPT (0.58) LMNAKDM4EMAPTTSHRCYP3A4
SCHEMBL17100534 0.79 MAPT (0.62) LMNAKDM4EMAPTTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308830-A1 Acid addition salts of 5-aminolevulinic acid or its derivatives Photocure ASA (NO) 2011-04-13 EP disclosed