SCHEMBL8873705

SCHEMBL8873705

O=C(O)CC1C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR17 Q13304 1/20 0.36
FFAR4 Q5NUL3 6/20 0.35
EGLN1 Q9GZT9 1/20 0.34
LMNA P02545 2/20 0.34
AGER Q15109 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32

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
SCHEMBL8873308 0.71 MAPT (0.39) MAPTTP53SMN1; SMN2GPR17FFAR4
SCHEMBL8874084 0.69 MAPT (0.42) MAPTTP53SMN1; SMN2HTTGLA
SCHEMBL17437592 0.66 CACNA1H (0.32) MAPTTP53SMN1; SMN2
SCHEMBL17437503 0.64 IDO1 (0.35) MAPTTP53SMN1; SMN2
SCHEMBL17437502 0.64 IDO1 (0.35) MAPTTP53SMN1; SMN2
SCHEMBL29437021 0.64 HSD17B10 (0.46) MAPTTP53SMN1; SMN2LMNAHTT
SCHEMBL3713898 0.63 KMT2A (0.43) FFAR4LMNA
SCHEMBL8140009 0.63 EGFR (0.43) MAPTGLAHSD17B10
SCHEMBL9054976 0.63 HDAC8 (0.39) MAPTLMNAHSD17B10CES2
SCHEMBL8872754 0.62 TSHR (0.41) MAPTSMN1; SMN2FFAR4LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed