SCHEMBL4843728

SCHEMBL4843728

CC(O)n1nnnc1C(c1nnnn1C(C)O)c1nnnn1C(C)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCOLN2 Q8IZK6 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7942980 0.73
SCHEMBL3872163 0.71 ALDH1A1 (0.39) CYP1A2POLBCYP2C19
SCHEMBL28707628 0.71 CYP1A2 (0.31) CYP1A2POLBCYP2C19
SCHEMBL29501792 0.71 CYP1A2 (0.31) CYP1A2POLBCYP2C19
SCHEMBL30986317 0.65
SCHEMBL19860035 0.64 MCOLN2 (0.40) TSHRCYP1A2POLBCYP2C19MCOLN2
SCHEMBL30868420 0.61 CYP1A2 (0.30) CYP1A2POLBCYP2C19
SCHEMBL30868501 0.61 CYP1A2 (0.30) CYP1A2POLBCYP2C19
SCHEMBL4407900 0.59
SCHEMBL18610800 0.57

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-7396938-B1 Process for making multifunctional tetrazole polyols to produce tetrazole based polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-08 US disclosed