SCHEMBL19033249

SCHEMBL19033249

O=C(O)c1cc(C(=O)O)c(C(=O)NCCCNC(=O)c2cc(C(=O)O)c(C(=O)O)cc2C(=O)O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
TSHR P16473 3/20 0.46
ALOX5 P09917 1/20 0.43
DNM2 P50570 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP1 Q9C000 1/20 0.42
CDK1 P06493 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL2638660 0.85 NAAA (0.59) HTTTSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL771801 0.84 KDM4E (0.57) HTTHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL19033250 0.82 HTT (0.48) HTTTSHRALOX5DNM2HPGD
SCHEMBL24844329 0.81 MAPK1 (0.42) HTTTSHRHPGDNPC1ALDH1A1
SCHEMBL26787499 0.81 NAAA (0.55) HTTTSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL24843418 0.80 MAPK1 (0.41) HTTTSHRHPGDALDH1A1HSD17B10
SCHEMBL24844315 0.80 MAPK1 (0.41) HTTTSHRHPGDALDH1A1HSD17B10
SCHEMBL24106106 0.79 LCK (0.41) HTTTSHRNPC1MAPTNPSR1
SCHEMBL17911678 0.79 MAPK1 (0.40) HTTTSHRALOX5MAPTMAPK1
SCHEMBL772102 0.79 HTT (0.58) HTTHPGDALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688881-B1 Low-melt polyamic acid based powder coatings THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2017-06-27 US disclosed
US-9688881-B1 Low-melt polyamic acid based powder coatings THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2017-06-27 US disclosed