SCHEMBL9435786

SCHEMBL9435786

C=CC(=O)NCCC1OCCO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TGM2 P21980 6/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 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
SCHEMBL9336549 0.83 ZDHHC20 (0.40) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL1681822 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL14780157 0.80 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL368274 0.78 USP2 (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10664789 0.76 TDP1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16256999 0.76 TDP1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL17510890 0.75 CYP2D6 (0.30)
SCHEMBL20379484 0.74 ZDHHC20 (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL11798904 0.74 BRD4 (0.37) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16750997 0.74 KDM4E (0.44) ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6145245-A None JP disclosed
JP-6145166-A None JP disclosed
JP-H06145166-A NEW VINYL COMPOUND AGENCY OF IND SCIENCE & TECHNOL 1994-05-24 JP disclosed
JP-H06145245-A HEAT-SENSITIVE POLYMER COMPOUND UNDERGOING PHASE TRANSFER IN ALCOHOL SOLVENT AND ITS PRODUCTION AGENCY OF IND SCIENCE & TECHNOL 1994-05-24 JP disclosed