SCHEMBL21733112

SCHEMBL21733112

CC(C)(Br)C(=O)OCCNC=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.35
ADH1A P07327 3/20 0.35
ADH7 P40394 3/20 0.35
PKM P14618 1/20 0.34
ADH1C P00326 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.32
ADH4 P08319 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
SCHEMBL17084865 0.80 ADH1B (0.39) ADH1BADH1AADH7PKMADH1C
SCHEMBL12572077 0.79 ADH1B (0.33) ADH1BADH1AADH7PKMADH1C
SCHEMBL15431831 0.79 POLB (0.35) PKMPOLBGAANPSR1
SCHEMBL36866 0.77 POLB (0.41) POLBGAANPSR1
SCHEMBL18844763 0.77 POLB (0.34) POLBGAANPSR1
SCHEMBL4323160 0.77 ALDH1A1 (0.34) ADH1BADH1AADH7ADH1CPOLB
SCHEMBL26785160 0.76 CTSK (0.32)
SCHEMBL15965828 0.76 MTNR1A (0.43) GAA
SCHEMBL5652323 0.74
SCHEMBL16661383 0.74 POLB (0.30) POLBGAANPSR1

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
EP-3254678-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2020-02-19 EP disclosed