SCHEMBL4438446

SCHEMBL4438446

[CH2]CN(C(=O)C=C)C1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ADH1A P07327 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADH1C P00326 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL27792048 1.00 ALDH1A1 (0.35) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL25804279 0.83 ALDH1A1 (0.38) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL3589654 0.83 ADH1A (0.36) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL14413802 0.83 MEN1 (0.47) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL7760713 0.81 ALDH1A1 (0.37) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL25211965 0.80 ADH1A (0.47) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL11505771 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL9420629 0.78 ADH1A (0.41) ALDH1A1ADH1AMEN1KMT2AADH1C
SCHEMBL1416138 0.76 ALOX5 (0.42) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL647829 0.75 TRPM8 (0.45) ALDH1A1ADH1AMEN1KMT2AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed