SCHEMBL23448451

SCHEMBL23448451

Cn1nc(CCC(=O)O)nc1-c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
PPARG P37231 1/20 0.38
TBXA2R P21731 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
CTSA P10619 4/20 0.37
RXRA P19793 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 3/20 0.35
AURKA O14965 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23447233 0.83 PDE10A (0.34) PDE10A
SCHEMBL23447089 0.79 RXRA (0.41) RXRARXRBRXRGKDM4EUSP2
SCHEMBL23447091 0.78 HDAC6 (0.38) FFAR1FFAR4RXRAKDM4EALDH1A1
SCHEMBL24409795 0.78 PTGDR2 (0.35) FFAR1FFAR4KDM4EUSP2ALDH1A1
SCHEMBL24407601 0.77 PKM (0.40) FFAR1CTSAKDM4E
SCHEMBL24409848 0.75 FFAR1 (0.40) FFAR1FFAR4KDM4EUSP2ALDH1A1
SCHEMBL25972417 0.74 ALDH1A1 (0.37) KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL23447204 0.74 GRM5 (0.38) PDE10AKDM4EALDH1A1
SCHEMBL23447270 0.72 PDE10A (0.38) PDE10AKDM4EHTT
SCHEMBL25973285 0.72 ALDH1A1 (0.39) KDM4EALDH1A1

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
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed