SCHEMBL4564576

SCHEMBL4564576

CN(c1ccccc1)C(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
SMPD2 O60906 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL27820012 1.00 ALDH1A1 (0.41) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL679865 1.00 ALDH1A1 (0.41) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL430659 0.85 ALDH1A1 (0.46) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL430660 0.85 ALDH1A1 (0.46) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL28130586 0.83 SLC6A2 (0.51) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL27761276 0.83 ALDH1A1 (0.45) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL11042753 0.83 CPA3 (0.42) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL4964528 0.81 CYP1A2 (0.50) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL3260043 0.81 ALDH1A1 (0.39) ALDH1A1GLATSHRKMT2ASMN1; SMN2
SCHEMBL3342746 0.81 NR4A2 (0.48) ALDH1A1GLATSHRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078364-B2 Curable composition and use of same OSAKA GAS CHEMICALS CO., LTD. (JP) 2021-08-03 US disclosed
US-20210087394-A1 CURABLE COMPOSITION AND USE OF SAME OSAKA GAS CHEMICALS CO., LTD. (JP) 2021-03-25 US disclosed
EP-3674375-A1 CURABLE COMPOSITION AND USE OF SAME Osaka Gas Chemicals Co., Ltd. (JP) 2020-07-01 EP disclosed
CN-101932580-A Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC 2010-12-29 CN disclosed
US-20090246415-A1 FUNCTIONAL FILM AND DISPLAY APPARATUS JGC CATALYSTS AND CHEMICALS LTD. (JP) 2009-10-01 US disclosed
US-20080057228-A1 Anti-glare film and liquid crystal display apparatus SHARP CORPORATION 2008-03-06 US disclosed
EP-0744955-A4 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT UNIV CALIFORNIA (US) 1998-12-16 EP disclosed
EP-0744955-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-04 EP disclosed
WO-1995022339-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-08-24 WO disclosed
US-5346828-A Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenylpropionic acids using d-threonine aldolase CELGENE CORPORATION (US) 1994-09-13 US disclosed