SCHEMBL24409795

SCHEMBL24409795

Cn1nc(CCC(=O)O)nc1-c1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR1 O14842 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC34A1 Q06495 1/20 0.35
GRM5 P41594 1/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
HDAC1 Q13547 1/20 0.33
GABRA5 P31644 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33

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
SCHEMBL24406760 0.87 CYP11B1 (0.41) KDM4EALDH1A1SLC34A1GRM5HDAC1
SCHEMBL24409727 0.85 ALDH1A1 (0.39) FFAR1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL24409726 0.80 L3MBTL1 (0.52) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL23448451 0.78 FFAR1 (0.38) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL26938556 0.78 LDHA (0.39) PTGDR2KDM4EALDH1A1GRM5GABRA5
SCHEMBL24409848 0.78 FFAR1 (0.40) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL23447089 0.76 RXRA (0.41) KDM4EALDH1A1HSD17B10MAPK1USP2
SCHEMBL23447091 0.75 HDAC6 (0.38) FFAR1KDM4EALDH1A1MAPK1FFAR4
SCHEMBL24409796 0.73 MAPK1 (0.39) KDM4EALDH1A1HSD17B10MAPK1FFAR4
SCHEMBL24406716 0.72 KDM4E (0.43) KDM4EALDH1A1GABRA5

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
WO-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed