SCHEMBL5141244

SCHEMBL5141244

C=Cc1ccc(CN(C(O)C=C)C(O)C=C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC3 O15379 1/20 0.30
PYCR1 P32322 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
SCHEMBL9988958 0.81 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL6808117 0.78 HDAC8 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL9989358 0.78 ALDH1A1 (0.39) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL18493213 0.74 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHDAC6HDAC8
SCHEMBL17527583 0.72 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL274546 0.72 ALDH1A1 (0.41) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL465236 0.71 HRH3 (0.56) ALDH1A1TSHRHDAC6HDAC8HDAC3
SCHEMBL18874552 0.71 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHDAC6HDAC8
SCHEMBL6391713 0.71 PYCR1 (0.50) ALDH1A1TSHRHDAC6HDAC8HDAC3
SCHEMBL6390256 0.71 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHDAC8PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311572-B1 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES CO (US) 2011-12-21 EP disclosed
US-7459167-B1 Biocidal polyurethane compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-02 US disclosed
EP-1935911-A1 Biocidal Polyurethane Compositions and Method of Use 3M Innovative Properties Company (US) 2008-06-25 EP disclosed
EP-1311572-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M Innovative Properties Company (US) 2003-05-21 EP disclosed
WO-2002010244-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-02-07 WO disclosed