SCHEMBL11068973

SCHEMBL11068973

OCCOc1ccc(OCCO)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
TUBB1 Q9H4B7 1/20 0.39
LOX P28300 1/20 0.38
AOC3 Q16853 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE7B Q9NP56 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL10359843 0.91 CYP3A4 (0.47) IDO1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11709637 0.88 IDO1 (0.41) IDO1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11684698 0.83 ALDH1A1 (0.43) IDO1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10359841 0.81 TSHR (0.68) IDO1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11450814 0.81 TP53 (0.50) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11441977 0.79 TP53 (0.49) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL24699931 0.78 CYP1A2 (0.47) IDO1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8955369 0.78 TP53 (0.47) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7070645 0.77 IDO1 (0.55) IDO1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4334537 0.76 S1PR4 (0.61) TP53TSHRTDP1S1PR4MAPT

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-4468510-A FILMS, FIBERS, MOLDING PLASTICS, LOW GAS PERMEABILITY EASTMAN KODAK COMPANY (US) 1984-08-28 US disclosed