SCHEMBL28148987

SCHEMBL28148987

NC(=O)CCC(O)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CPA1 P15085 1/20 0.40
TRPA1 O75762 1/20 0.40
FFAR1 O14842 1/20 0.39
EPHX1 P07099 1/20 0.38
MME P08473 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 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
SCHEMBL28092109 0.84 TRPA1 (0.41) CPA1TRPA1FFAR1EPHX1MME
SCHEMBL28179822 0.82 TRPA1 (0.53) TRPA1EPHX1
SCHEMBL28108510 0.78 CYP1A2 (0.48) PPARGPPARACPA1TRPA1LMNA
SCHEMBL28957129 0.75 AOC3 (0.47)
SCHEMBL28957128 0.75 AOC3 (0.47)
SCHEMBL13849892 0.74 TRPA1 (0.48) PPARGPPARATRPA1LMNA
SCHEMBL14402399 0.74 TRPA1 (0.48) PPARGPPARATRPA1LMNA
SCHEMBL1907744 0.74 EPHX1 (0.45) PPARGPPARACPA1TRPA1EPHX1
SCHEMBL2466699 0.74 FFAR1 (0.55) FFAR1LMNA
SCHEMBL16434845 0.74 LOXL2 (0.50) PPARGPPARACPA1TRPA1

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
CN-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed