SCHEMBL17044286

SCHEMBL17044286

O=C(O)Oc1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCC2

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.74
BCL2 P10415 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2208222 0.85 MCL1 (1.00) MCL1BCL2
SCHEMBL15622283 0.83 MCL1 (0.96) MCL1BCL2
SCHEMBL17044260 0.80 MCL1 (0.56) MCL1BCL2
SCHEMBL2203327 0.80 MCL1 (0.78) MCL1BCL2
SCHEMBL17044294 0.79 MCL1 (0.75) MCL1BCL2
SCHEMBL15622460 0.78 MCL1 (0.75) MCL1BCL2
SCHEMBL15625853 0.78 MCL1 (0.96) MCL1
SCHEMBL17044252 0.78 MCL1 (0.74) MCL1BCL2
SCHEMBL17044222 0.78 MCL1 (0.54) MCL1BCL2
SCHEMBL15625757 0.76 MCL1 (1.00) MCL1

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-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP claimed