SCHEMBL22728352

SCHEMBL22728352

C=C1CCN(OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.37

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
SCHEMBL1934716 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKCNA5
SCHEMBL6947156 0.73 CASP1 (0.53) ALDH1A1TSHR
SCHEMBL13386604 0.73 ALDH1A1 (0.55) ALDH1A1ALOX15TSHRKCNA5
SCHEMBL28055505 0.73 HTR1A (0.41) ALDH1A1GRM5
SCHEMBL9506098 0.72 L3MBTL1 (0.53) ALDH1A1TSHR
SCHEMBL7837188 0.71 DDB1 (0.56) GRM5MEN1KMT2A
SCHEMBL28467777 0.71 MEN1 (0.56) ALDH1A1TSHRGRM5MEN1KMT2A
SCHEMBL28516086 0.71 L3MBTL1 (0.55) ALDH1A1
SCHEMBL22728271 0.71 KMT2A (0.51) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL30207952 0.70 LMNA (0.42) ALDH1A1MEN1KMT2A

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-20200377713-A1 POLYMERS, PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2020-12-03 US disclosed