SCHEMBL10714769

SCHEMBL10714769

Cc1cccc(OCCCC(C)(C)C=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR1A P08908 2/20 0.41
ALOX5 P09917 2/20 0.41

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
SCHEMBL10275585 0.78 HTR1B (0.56) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL15085808 0.77 HTR1B (0.59) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL5929458 0.76 HTR1B (0.71) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL4542705 0.76 TSHR (0.63) KDM4EPPARGPPARASMN1; SMN2LMNA
SCHEMBL10714773 0.76 SMN1; SMN2 (0.49) MAPTKDM4EKMT2APPARGPPARA
SCHEMBL27890770 0.76 HTR1B (0.62) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL16687678 0.74 HTR1B (0.56) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL4740590 0.73 HTR1B (0.62) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL24262855 0.72 HTR1B (0.66) HTR1BMAPTKDM4EGAAMEN1
SCHEMBL14956917 0.72 HTR1B (0.61) HTR1BMAPTKDM4EGAAMEN1

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-0155973-B1 HYDROCARBYLOXY ALKANALS, ORGANOLEPTIC USES THEREOF AND PROCESSORS FOR PREPARING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-12-14 EP disclosed