SCHEMBL6267673

SCHEMBL6267673

C=CC(=O)OC(C)C(C)(N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 2/20 0.39
TRPA1 O75762 1/20 0.39
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
RECQL P46063 1/20 0.36
TACR3 P29371 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MMP8 P22894 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL3483732 0.80 SMN1; SMN2 (0.41) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
Acrylic Acid SCHEMBL18297319 0.78 CYP2C19 (0.50) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL28037623 0.76 ALDH1A1 (0.40) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL28660633 0.76 ALDH1A1 (0.45) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9646933 0.74 CTSK (0.47) SLC6A2TAAR1TSHRTRPA1THRB
SCHEMBL7895046 0.74 ALDH1A1 (0.44) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3248705 0.73 CYP3A4 (0.54) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3248877 0.72 CYP2C19 (0.50) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL16447717 0.72 SLC6A2 (0.52) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL18546114 0.72 CYP3A4 (0.53) CYP3A4CYP2C19ALDH1A1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288009-B1 Ink jet recording element and printing method EASTMAN KODAK CO (US) 2005-12-14 EP disclosed
US-6692123-B2 USING A POROUS INK JET RECORDING ELEMENT THAT HAS INSTANT DRY TIME; HAS GOOD COATING QUALITY, ESPECIALLY REDUCED CRACKING; EXHIBITS GOOD IMAGE QUALITY; INORGANIC PARTICLES ENCAPSULATED WITH AN ORGANIC POLYMER EASTMAN KODAK COMPANY 2004-02-17 US disclosed
US-20030063176-A1 Ink jet printing method EASTMAN KODAK COMPANY 2003-04-03 US disclosed
EP-1288009-A2 Ink jet recording element and printing method EASTMAN KODAK COMPANY (US) 2003-03-05 EP disclosed
US-6447111-B1 LOADING PRINTER RESPONSIVE TO DIGITAL DATA SIGNALS WITH INORGANIC, COLLOIDAL, CATIONIC POLYMERIC, AND ENCAPSULATED PARTICLES; PRINTING ON IMAGE RECEIVING LAYER; HIGH SPEED EASTMAN KODAK COMPANY 2002-09-10 US disclosed
US-6440537-B1 COMPRISING A SUBSTRATE HAVING THEREON AN IMAGE-RECEIVING LAYER COMPRISING INORGANIC PARTICLES (TITANIA, ALUMINA, SILICA ETC.) ENCAPSULATED WITH AN ACRYLATE POLYMER EASTMAN KODAK COMPANY 2002-08-27 US disclosed
US-6315405-B1 Ink jet printing method EASTMAN KODAK COMPANY 2001-11-13 US disclosed
EP-1138511-A2 Ink jet printing method EASTMAN KODAK COMPANY (US) 2001-10-04 EP disclosed