SCHEMBL6437481

SCHEMBL6437481

CCCOC(CC)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 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
SCHEMBL1357116 0.79 SHBG (0.46) SHBGALDH1A1TP53EPHX1NPSR1
SCHEMBL16286822 0.78 SHBG (0.44) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL16287560 0.78 SHBG (0.44) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL11853870 0.78 SHBG (0.44) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL2700537 0.78 SHBG (0.44) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL29101111 0.78 SHBG (0.54) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL3315393 0.78 SHBG (0.54) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL8010809 0.76 SHBG (0.32) SHBGCYP2D6CYP1A2CYP2C19
SCHEMBL21938074 0.76 SHBG (0.52) SHBGCYP2D6CYP1A2ALDH1A1TP53
SCHEMBL16287565 0.76 SHBG (0.41) SHBGCYP2D6CYP1A2EPHX1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113536-A1 Epoxy polymer precursors and epoxy polymers resistant to damage by high-energy radiation ARMSTRONG SEAN E (US) 2005-05-26 US disclosed
US-20050107580-A1 Epoxy polymer precursors and epoxy polymers resistant to damage by high-energy radiation ARMSTRONG SEAN E (US) 2005-05-19 US disclosed