SCHEMBL18598096

SCHEMBL18598096

CC[C@H](F)C(C)/C=C1/SC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.43
▸ PIM1 P11309 12/20 0.43
▸ PIM2 Q9P1W9 11/20 0.43
▸ PIM3 Q86V86 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ TTR P02766 1/20 0.39
▸ PTGER3 P43115 1/20 0.38
▸ AKR1B1 P15121 1/20 0.36

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
SCHEMBL13340886 0.75 PIM1 (0.53) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL219258 0.67 PIM1 (0.53) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL13366364 0.67 PIM1 (0.43) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL18711179 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL18711250 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL19928684 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL18711226 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL18711174 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL18711177 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD
SCHEMBL19928658 0.67 PIM1 (0.42) IGF1RPIM1PIM2PIM3HPGD

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-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 — — EP disclosed
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