SCHEMBL9801598

SCHEMBL9801598

CC1(C)CN(CCO)CCN1CCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC29A1 Q99808 1/20 0.37
OPRL1 P41146 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL9801023 0.90 SLC29A1 (0.35) ALDH1A1KDM4ESLC29A1OPRL1KMT2A
SCHEMBL9801317 0.90 SLC29A1 (0.40) ALDH1A1KDM4ESLC29A1OPRL1TSHR
SCHEMBL9801415 0.89 ALOX15 (0.37) ALDH1A1KDM4ESLC29A1KMT2AMEN1
SCHEMBL9800985 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ESLC29A1OPRL1KMT2A
SCHEMBL9800998 0.86 SLC29A1 (0.38) ALDH1A1KDM4ESLC29A1
SCHEMBL9801563 0.84 SLC29A1 (0.44) SLC29A1TSHR
SCHEMBL9801101 0.82 KCNJ1 (0.34) SLC29A1OPRL1KMT2ALMNAHTT
SCHEMBL9801148 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9801153 0.81 LMNA (0.33) ALDH1A1KDM4ESLC29A1KMT2ALMNA
SCHEMBL9801387 0.80 SLC29A1 (0.39) SLC29A1TSHR

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