SCHEMBL17044294

SCHEMBL17044294

O=C(O)Oc1[nH]c2ccccc2c1CCCOc1cccc2c1CCCC2

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.75
BCL2 P10415 3/20 0.49
BCL2L1 Q07817 1/20 0.49
ALB P02768 1/20 0.49
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43

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
SCHEMBL19178689 0.86 MCL1 (0.77) MCL1BCL2BCL2L1RXRARXRB
SCHEMBL2207431 0.86 MCL1 (1.00) MCL1BCL2ALB
SCHEMBL17044222 0.85 MCL1 (0.54) MCL1BCL2ALBRXRARXRB
SCHEMBL15622406 0.84 MCL1 (0.96) MCL1BCL2ALB
SCHEMBL19178595 0.83 MCL1 (0.73) MCL1BCL2BCL2L1RXRARXRB
SCHEMBL17044347 0.82 MCL1 (0.71) MCL1BCL2BCL2L1ALB
SCHEMBL19178670 0.81 MCL1 (0.62) MCL1BCL2ALB
SCHEMBL2205708 0.80 MCL1 (0.79) MCL1BCL2ALB
SCHEMBL19179197 0.80 MCL1 (0.60) MCL1BCL2BCL2L1ALB
SCHEMBL17044286 0.79 MCL1 (0.74) MCL1BCL2

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