SCHEMBL22986557

SCHEMBL22986557

C=CCN(CC=C)C(=O)C(=C)I

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
DPP4 P27487 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
SCHEMBL569156 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL11668092 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL729426 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBDPP4
SCHEMBL21224872 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBDPP4
SCHEMBL131046 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBDPP4
SCHEMBL14252726 0.76 ALOX15 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL9456466 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL1077521 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBDPP4
SCHEMBL16240025 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL4483932 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTPOLBDPP4

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-3780231-A1 ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2021-02-17 EP disclosed