SCHEMBL17044356

SCHEMBL17044356

O=C(O)Oc1[nH]c2cc(-c3ccccc3)ccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.58
BCL2 P10415 4/20 0.58
BCL2L1 Q07817 3/20 0.58
ALB P02768 1/20 0.57
BAD Q92934 2/20 0.47

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
SCHEMBL17044318 0.95 MCL1 (0.56) MCL1BCL2BCL2L1ALBBAD
SCHEMBL17044314 0.94 MCL1 (0.58) MCL1BCL2BCL2L1ALBBAD
SCHEMBL17044278 0.90 MCL1 (0.51) MCL1BCL2BCL2L1ALB
SCHEMBL17044349 0.90 MCL1 (0.61) MCL1BCL2BCL2L1ALB
SCHEMBL17044347 0.88 MCL1 (0.71) MCL1BCL2BCL2L1ALBBAD
SCHEMBL17044364 0.87 MCL1 (0.54) MCL1BCL2BCL2L1ALBBAD
SCHEMBL17044310 0.86 MCL1 (0.56) MCL1BCL2BCL2L1ALBBAD
SCHEMBL2204330 0.86 MCL1 (0.78) MCL1BCL2BCL2L1ALB
SCHEMBL17044321 0.82 MCL1 (0.54) MCL1BCL2BCL2L1ALBBAD
SCHEMBL17044339 0.82 MCL1 (0.57) MCL1BCL2BCL2L1ALBBAD

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