SCHEMBL20179742

SCHEMBL20179742

CC(C)(C)C(=O)Oc1ccc2c(c1)CCCC=C2c1ccc(OSC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 11/20 0.34
CA2 P00918 5/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL19273758 0.87 ELANE (0.44) MEN1KMT2AELANECA2ESR1
SCHEMBL20165175 0.86 ELANE (0.36) MEN1KMT2AELANECA2ESR1
SCHEMBL26187674 0.85 ELANE (0.37) MEN1KMT2AELANECA2
SCHEMBL30613266 0.85 ELANE (0.37) MEN1KMT2AELANECA2
SCHEMBL26187600 0.85 ELANE (0.37) MEN1KMT2AELANECA2ESR1
SCHEMBL20687054 0.84 ESR1 (0.38) ESR1ESR2
SCHEMBL19273720 0.80 ESR1 (0.39) ESR1ESR2
SCHEMBL19273587 0.78 ELANE (0.44) MEN1KMT2AELANECA2
SCHEMBL30624506 0.77 CHEK2 (0.36) MEN1KMT2A
SCHEMBL26187309 0.77 CHEK2 (0.36) MEN1KMT2A

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
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed