SCHEMBL20202287

SCHEMBL20202287

C=C(C)C(=O)OCCNC(=O)OC(CNC)CNC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 5/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL20224590 0.93 THRB (0.47) THRBTSHRSMN1; SMN2ALDH1A1TLR2
SCHEMBL14368845 0.86 TSHR (0.47) THRBTSHRSMN1; SMN2ALDH1A1TLR2
SCHEMBL21255712 0.86 THRB (0.45) THRBTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL20207221 0.86 THRB (0.36) THRBTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL23976089 0.85 TSHR (0.42) THRBTSHRSMN1; SMN2ALDH1A1TLR2
SCHEMBL14368850 0.84 TSHR (0.45) THRBTSHRSMN1; SMN2ALDH1A1TLR2
SCHEMBL18649978 0.83 SMN1; SMN2 (0.47) THRBTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL15297233 0.81 TSHR (0.39) THRBTSHRTLR2
SCHEMBL2602747 0.80 TSHR (0.45) THRBTSHRTLR2ACHE
SCHEMBL21255713 0.80 TSHR (0.43) THRBTSHRSMN1; SMN2ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed