SCHEMBL7142498

SCHEMBL7142498

COc1cccc(OC(CCO)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PPARG P37231 5/20 0.50
PPARA Q07869 4/20 0.50
FOLH1 Q04609 1/20 0.49
MTNR1A P48039 8/20 0.48
MTNR1B P49286 8/20 0.48
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL121365 0.91 FOLH1 (0.53) LMNAPPARGPPARAFOLH1MTNR1A
Aminodiphenylmethane SCHEMBL6631422 0.89 MTNR1A (0.45) LMNAPPARGPPARAFOLH1MTNR1A
SCHEMBL1565567 0.85 PPARG (0.61) LMNAPPARGPPARAFOLH1MTNR1A
SCHEMBL30475592 0.84 SMN1; SMN2 (0.59) LMNAPPARGPPARAMTNR1AMTNR1B
SCHEMBL940490 0.83 PPARG (0.58) PPARGPPARA
SCHEMBL9092823 0.82 PPARG (0.55) LMNAPPARGPPARAFOLH1MTNR1A
SCHEMBL6393068 0.77 FOLH1 (0.41) PPARGPPARAFOLH1MTNR1AMTNR1B
SCHEMBL9423504 0.76 LMNA (0.56) LMNAMTNR1AMTNR1BTSHRCES2
SCHEMBL12742329 0.75 TSHR (0.59) LMNAMTNR1AMTNR1BTSHRCES2
1,3-Dimethoxybenzene SCHEMBL27707769 0.74 LMNA (0.58) LMNAMTNR1AMTNR1BTSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664305-B2 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-12-16 US disclosed
US-20030125204-A1 Chromatography material and a process of manufacturing that material BIA SEPARATIONS D.O.O. (SI) 2003-07-03 US disclosed
EP-1294480-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL Bia Separations D.O.O. (SI) 2003-03-26 EP disclosed
WO-2002000337-A1 A CHROMATOGRAPHY MATERIAL AND A PROCESS OF MANUFACTURING THAT MATERIAL BIA SEPARATIONS D.O.O. (SI) 2002-01-03 WO disclosed