SCHEMBL9801680

SCHEMBL9801680

CCN1CCN(CCC(C)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 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
SCHEMBL9319178 0.90 HRH3 (0.38) KMT2AHRH3SMN1; SMN2
SCHEMBL9801809 0.86 DRD2 (0.39) TSHRSIGMAR1HRH3SMN1; SMN2
SCHEMBL13412958 0.83 KDM4E (0.36) KDM4ESIGMAR1ALDH1A1SMN1; SMN2KDM1A
SCHEMBL9801142 0.83 GAA (0.41) KDM4ESIGMAR1ALDH1A1HRH3SMN1; SMN2
SCHEMBL24319340 0.83 GAA (0.41) KDM4ESIGMAR1ALDH1A1HRH3SMN1; SMN2
SCHEMBL25304200 0.83 GAA (0.41) KDM4ESIGMAR1ALDH1A1HRH3SMN1; SMN2
SCHEMBL10109567 0.82 KMT2A (0.36) PKMSIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL9801052 0.81 KMT2A (0.48) KDM4ETSHRMEN1ALDH1A1KMT2A
SCHEMBL3271095 0.80 HRH3 (0.46) MEN1ALDH1A1KMT2AL3MBTL1HRH3
SCHEMBL18708827 0.79 SIGMAR1 (0.33) KDM4EPKMSIGMAR1ALDH1A1KDM1A

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
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed