SCHEMBL9801052

SCHEMBL9801052

CC(O)CCN1CCN(CCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.35
DUSP3 P51452 1/20 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
SCHEMBL9319178 0.90 HRH3 (0.38) KMT2ALMNAHTTTP53
SCHEMBL439524 0.86 ALDH1A1 (0.46) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL9518405 0.84 LMNA (0.57) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL24319340 0.83 GAA (0.41) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL9801142 0.83 GAA (0.41) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL25304200 0.83 GAA (0.41) ALDH1A1KDM4EPOLBGAATP53
SCHEMBL9801809 0.81 DRD2 (0.39) TSHR
SCHEMBL9801680 0.81 KDM4E (0.35) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL3271095 0.80 HRH3 (0.46) KMT2ALMNAALDH1A1POLBMEN1
SCHEMBL9801327 0.79 ALOX15 (0.59) ALDH1A1TP53

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