SCHEMBL28299271

SCHEMBL28299271

C=C(C)C(N)=O.C=C(O)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.56
EGLN1 Q9GZT9 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TSHR P16473 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL10542559 0.85 ALDH1A1 (0.79) TDP1ALDH1A1EGLN1LMNAALOX15
SCHEMBL375516 0.84
Methacrylic Acid SCHEMBL28100454 0.84 ALDH1A1 (0.68) TDP1ALDH1A1EGLN1LMNAALOX15
Carbamic Acid SCHEMBL9013721 0.80 ALDH1A1 (0.79) TDP1ALDH1A1EGLN1LMNAALOX15
Methoxymethane SCHEMBL2353557 0.79
Ethylenediamine SCHEMBL27839508 0.78 ALDH1A1 (0.46) ALDH1A1EGLN1LMNATSHR
Urea SCHEMBL27927210 0.77 ALDH1A1 (0.83) TDP1ALDH1A1EGLN1LMNAALOX15
Hydrogen Peroxide SCHEMBL9143793 0.76
Bicarbonate SCHEMBL1415130 0.76 TDP1 (0.86) TDP1ALDH1A1LMNAALOX15BLM
SCHEMBL17842489 0.76 TDP1 (0.86) TDP1ALDH1A1LMNAALOX15BLM

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
CN-107903156-B Photosensitive composite and compound 东京应化工业株式会社 2019-05-31 CN disclosed