SCHEMBL6251476

SCHEMBL6251476

C=C(Cl)C(=O)OCOC(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.33
ACHE P22303 8/20 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
SCHEMBL11544171 0.83 THRB (0.44) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL6251248 0.82 ACHE (0.43) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL9475407 0.82 CHRNB2 (0.48) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL12035543 0.72 ALOX15 (0.46) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL26112831 0.72 THRB (0.44) ALDH1A1
SCHEMBL10822205 0.72 TSHR (0.46) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL26114393 0.71
SCHEMBL15113723 0.71 CHRNB2 (0.49) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL395607 0.71
SCHEMBL6248762 0.70 ALOX15 (0.37) CHRNB2CHRNA4

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
WO-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed