SCHEMBL18092248

SCHEMBL18092248

CCCCCCC1=C(C(=O)OCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGKA P23743 1/20 0.39
NOD2 Q9HC29 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
TSHR P16473 2/20 0.37
ESR1 P03372 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35

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
SCHEMBL17728058 0.88 SCD (0.45) SCDMAPTLMNAMAPK1DGKA
SCHEMBL10434853 0.80 SCD (0.55) SCDMAPTMEN1KMT2AALDH1A1
SCHEMBL9694762 0.79 ALDH1A1 (0.47) SCDKDM4EMAPTLMNAMAPK1
SCHEMBL9484047 0.78 SCD (0.52) SCDMAPTMEN1KMT2AALDH1A1
SCHEMBL8966027 0.77 KDM4E (0.52) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL5608026 0.77 KDM4E (0.59) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL17728019 0.76 SCD (0.35) SCDMAPTMEN1KMT2ALMNA
SCHEMBL3678044 0.76 ALDH1A1 (0.51) KDM4EMAPTLMNAMAPK1ALDH1A1
SCHEMBL294898 0.72 SCD (0.44) SCDKDM4EMAPTMEN1ALOX15
SCHEMBL1626805 0.71 KDM4E (0.53) KDM4EMAPTMEN1ALOX15KMT2A

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-3073167-A1 FLANGE CONNECTION b.arc GmbH (DE) 2016-09-28 EP disclosed