SCHEMBL11577489

SCHEMBL11577489

CC(N=C=O)(N=C=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.42
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11577488 0.92 KEAP1 (0.33) HCAR2
SCHEMBL642104 0.73 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL642105 0.73 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1964699 0.73 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
Ethane SCHEMBL29288096 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28920930 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
Methane SCHEMBL9860828 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9315123 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1272868 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2486319 0.71 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3

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-RE29772-E IMPACT STRENGTH, CLARITY, WEATHER RESISTANCE ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed