SCHEMBL4251529

SCHEMBL4251529

C=CC(C(=O)O)c1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 2/20 0.32
AKT1 P31749 1/20 0.31
DAO P14920 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11592656 0.77 NAPRT (0.44) NAPRTMAPTKDM4EGAARAB9A
SCHEMBL7936000 0.72 LMNA (0.46) NAPRTMAPTKDM4EGAARAB9A
SCHEMBL2359714 0.72
SCHEMBL10866718 0.72 NAPRT (0.33) NAPRTMAPTKDM4EGAARAB9A
SCHEMBL9978306 0.71
SCHEMBL6159526 0.71
SCHEMBL2789316 0.71 PTGS2 (0.42) NAPRTMAPTKDM4EGAATSHR
SCHEMBL11387979 0.71 NAPRT (0.39) NAPRTMAPTKDM4EGAACYP2C19
SCHEMBL28379607 0.70 GRIN2D (0.33) NAPRTMAPTKDM4EGAARAB9A
SCHEMBL12833352 0.70 CYP1A2 (0.57) MAPTKDM4ECYP1A2CYP2C19CYP2D6

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
US-20170176470-A1 DETECTION OF CARBOXYALKYLPYRROLE OR PENTYLPYRROLE ETHANOLAMINE PHOSPHOLIPIDS UNIV CASE WESTERN RESERVE (US) 2017-06-22 US disclosed
US-7560257-B2 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION (US) 2009-07-14 US disclosed
US-20080160505-A1 DIAGNOSTIC METHODS FOR AGE RELATED MACULAR DEGENERATION THE CLEVELAND CLINIC FOUNDATION 2008-07-03 US disclosed
US-7341839-B2 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION (US) 2008-03-11 US disclosed
US-20070072241-A1 diagnosing age-related macular degeneration comprising determining the level of anti-2-( omega -carboxyethyl) pyrrole (CEP) antibodies in a bodily fluid obtained from the test subject NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-29 US disclosed
US-7172874-B2 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION (US) 2007-02-06 US disclosed
US-20040265924-A1 Diagnostic methods for age related macular degeneration THE CLEVELAND CLINIC FOUNDATION 2004-12-30 US disclosed
WO-1997020203-A1 NOVEL MEMBRANES AND MEMBRANE DNA/RNA SENSORS SCHALKHAMMER THOMAS (AT) 1997-06-05 WO disclosed