SCHEMBL28298041

SCHEMBL28298041

C=C(C(=O)OC)c1ccccc1.C=C(C)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.44
ELANE P08246 1/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
SRC P12931 1/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL829508 0.88 TSHR (0.56) TDP1ATMTSHRELANEALDH1A1
Hydroxyamine SCHEMBL28449118 0.86 TDP1 (0.50) TDP1ATMTSHRELANEALDH1A1
Formaldehyde SCHEMBL27990834 0.86 TSHR (0.54) TDP1ATMTSHRELANEALDH1A1
SCHEMBL27969032 0.86 TSHR (0.54) TDP1ATMTSHRELANEALDH1A1
Hydrochloric Acid SCHEMBL19749005 0.86 TSHR (0.54) TDP1ATMTSHRELANEALDH1A1
Methane SCHEMBL28271932 0.86 TSHR (0.54) TDP1ATMTSHRELANEALDH1A1
SCHEMBL27637051 0.82 ATM (0.50) TDP1ATMTSHRELANEALDH1A1
SCHEMBL28465078 0.82 ATM (0.50) TDP1ATMTSHRELANEALDH1A1
SCHEMBL28225508 0.81 TDP1 (0.46) TDP1ATMTSHRELANEALDH1A1
Methacrylic Acid SCHEMBL28127048 0.79 ATM (0.44) TDP1ATMTSHRELANEALDH1A1

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-109790234-A Fluorescence resin particle and application thereof 积水化成品工业株式会社 2019-05-21 CN disclosed