SCHEMBL6014068

SCHEMBL6014068

CC(C)Cc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
AKR1C2 P52895 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL1950367 0.88 CYP1A2 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL77326 0.87 LMNA (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11870875 0.87 PTGS1 (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6443243 0.87 LMNA (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL722686 0.86 LMNA (0.38) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL27494885 0.86 LMNA (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14989241 0.82 PTGS1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
Phthalic Acid SCHEMBL31462355 0.82 ALDH1A1 (0.44) LMNAAKR1C3ADRB3DHODHALDH1A1
Phthalic Acid SCHEMBL29113646 0.82 ALDH1A1 (0.44) LMNAAKR1C3ADRB3DHODHALDH1A1
SCHEMBL722685 0.81 LMNA (0.38) PTGS1PTGS2LMNACYP2C9AKR1C3

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
EP-1193564-B1 Toner, developer and container for the developer, and method of and apparatus for forming an image RICOH KK (JP) 2006-04-05 EP disclosed
US-6733939-B2 FOR USE IN DEVELOPER DURING ELECTROPHOTOGRAPHY, ELECTROSTATIC RECORDING, ELECTROSTATIC PRINTING; CHARGE CONTROL AGENTS INCREASE DISPERSIBILITY IN RESIN; NO VARIATION IN THE TONER CHARGEABILITY AFTER CONTINUOUS PRINTING RICOH COMPANY, LTD. (JP) 2004-05-11 US disclosed
US-20020064723-A1 Toner, developer and container for the developer, and method of and apparatus for forming an image RICOH COMPANY, LTD. (JP) 2002-05-30 US disclosed
EP-1193564-A2 Toner, developer and container for the developer, and method of and apparatus for forming an image Ricoh Company, Ltd. (JP) 2002-04-03 EP disclosed