SCHEMBL8062468

SCHEMBL8062468

CCCCCCC(O)COC(=O)c1ccc(C(=O)OCC(O)CCCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ADRB2 P07550 11/20 0.49
ADRB1 P08588 11/20 0.49
ADRB3 P13945 11/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ESR1 P03372 1/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49

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
SCHEMBL8062472 1.00 ALDH1A1 (0.53) ALDH1A1NPC1MAPTRAB9APRSS1
SCHEMBL31359393 0.94 ESR1 (0.59) ALDH1A1NPC1MAPTRAB9APRSS1
SCHEMBL23926216 0.93 ALDH1A1 (0.57) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL28044998 0.92 ADRB2 (0.57) ALDH1A1NPC1MAPTRAB9APRSS1
SCHEMBL28045048 0.92 ADRB2 (0.57) ALDH1A1NPC1MAPTRAB9APRSS1
SCHEMBL14515538 0.92 ADRB2 (0.57) ALDH1A1NPC1MAPTRAB9APRSS1
SCHEMBL8819899 0.88 RARB (0.57) ALDH1A1MAPTCYP1A2
SCHEMBL31307131 0.88 MAPT (0.59) ALDH1A1MAPTLMNACYP3A4HSD17B10
SCHEMBL23926231 0.86 ADRB2 (0.54) ALDH1A1MAPTLMNACYP3A4HSD17B10
SCHEMBL24592657 0.86 ADRB2 (0.60) ALDH1A1MAPTPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090973-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US claimed
EP-1009777-A1 POLYESTER TONER COMPOSITION FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS Ticona LLC (US) 2000-06-21 EP claimed
WO-1999011720-A1 POLYESTER TONER COMPOSITION FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS TICONA LLC (US) 1999-03-11 WO claimed
US-6090973-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US disclosed
US-6090516-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 2000-07-18 US disclosed
EP-1012673-A1 POLYESTER TONER MICROSPHERES FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS Ticona LLC (US) 2000-06-28 EP disclosed
EP-1009777-A1 POLYESTER TONER COMPOSITION FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS Ticona LLC (US) 2000-06-21 EP disclosed
US-6001980-A Polyester toner composition for electrophotographic imaging systems HOECHST CELANESE CORPORATION (US) 1999-12-14 US disclosed
WO-1999011720-A1 POLYESTER TONER COMPOSITION FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS TICONA LLC (US) 1999-03-11 WO disclosed
WO-1999012077-A1 POLYESTER TONER MICROSPHERES FOR ELECTROPHOTOGRAPHIC IMAGING SYSTEMS TICONA LLC (US) 1999-03-11 WO disclosed
US-5843609-A Polyester toner microspheres for electrophotographic imaging systems HOECHST CELANESE CORP. (US) 1998-12-01 US disclosed