SCHEMBL20179642

SCHEMBL20179642

CC(C)(C)C(=O)Oc1ccc2c(c1)OCCC=C2c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.42
ESR1 P03372 7/20 0.40
ESR2 Q92731 7/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
GRM5 P41594 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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 0.78 ELANE (0.44) ELANEESR1MEN1KMT2A
SCHEMBL20165320 0.77 ESR1 (0.50) ESR1
SCHEMBL20165318 0.77 ESR1 (0.50) ESR1
SCHEMBL20179807 0.76 MAPT (0.38) ELANEESR1ESR2MEN1KMT2A
SCHEMBL20179643 0.74 GRM5 (0.63) MEN1KMT2AMAPTGRM5HSD17B10
SCHEMBL20165456 0.74 ELANE (0.38) ELANEESR1ESR2MEN1KMT2A
SCHEMBL20179806 0.74 ELANE (0.38) ELANEESR1ESR2MEN1KMT2A
SCHEMBL20165273 0.72 GRM5 (0.54) ELANEESR1ESR2MEN1KMT2A
SCHEMBL19968965 0.71 ESR1 (0.48) ELANEESR1ESR2MEN1KMT2A
SCHEMBL22536181 0.70 CYP19A1 (0.47) ESR1ESR2MAPT

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