SCHEMBL6293590

SCHEMBL6293590

C=Cc1ccc(C(=O)OC(=O)/C=C/C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
MAPT P10636 6/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
SNCA P37840 1/20 0.34
PTPN1 P18031 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F3 P13726 1/20 0.33
MAOB P27338 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL33341 0.83 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1MAPTLMNA
SCHEMBL28733839 0.82 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1MAPTLMNA
SCHEMBL440528 0.82 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1MAPTLMNA
SCHEMBL11292521 0.79 NPC1 (0.46) ALDH1A1MAPTLMNANPC1GAA
SCHEMBL11292518 0.79 NPC1 (0.46) ALDH1A1MAPTLMNANPC1GAA
SCHEMBL23754765 0.79 TSHR (0.50) ALDH1A1MAPTLMNANPC1TDP1
SCHEMBL2502087 0.79 TSHR (0.50) ALDH1A1MAPTLMNANPC1TDP1
SCHEMBL463760 0.77 TDP1 (0.52) ALDH1A1TAS1R3TAS1R1MAPTLMNA
SCHEMBL27904304 0.77 MAPT (0.48) ALDH1A1TAS1R3TAS1R1MAPTLMNA
SCHEMBL440529 0.75 F2 (0.48) ALDH1A1MAPTLMNATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979702-B1 Ionomer composite compositions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-12-27 US claimed