SCHEMBL6244752

SCHEMBL6244752

Cc1c(O)ccc(CC(=O)C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.44
SHBG P04278 1/20 0.42
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.35
DBH P09172 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
PRKCI P41743 1/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33

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
SCHEMBL5201499 0.81 TYR (0.49) TYRMEN1KMT2AMAPTSHBG
SCHEMBL6248841 0.78 TYR (0.50) TYRMEN1KMT2AMAPTSHBG
SCHEMBL70108 0.76 TYR (0.60) TYRMEN1KMT2AMAPTSHBG
SCHEMBL5319151 0.75 TYR (0.44) TYRMEN1KMT2AMAPTSHBG
SCHEMBL31244461 0.73 TYR (0.57) TYRMEN1KMT2AMAPTSHBG
SCHEMBL8470006 0.73 TYR (0.57) TYRMEN1KMT2AMAPTSHBG
SCHEMBL5323479 0.72 TYR (0.56) TYRMEN1KMT2AMAPTKDM4E
SCHEMBL28845277 0.71 TYR (0.55) TYRMEN1KMT2AMAPTSHBG
SCHEMBL8088739 0.71 AKR1B1 (0.63) TYRCYP1A2
SCHEMBL28606012 0.70 IAPP (0.61) TYRMEN1KMT2AMAPTSHBG

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
EP-1556038-A2 ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2005-07-27 EP disclosed
WO-2004018386-A2 ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2004-03-04 WO disclosed