SCHEMBL28857232

SCHEMBL28857232

CC(CC(=O)CC(C)c1ccc(Cc2ccccc2)cc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
FFAR1 O14842 2/20 0.50
LMNA P02545 1/20 0.50
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CALM1 P0DP23 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 3/20 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
SCHEMBL11399936 0.85 ACHE (0.60) ACHEFFAR1POLBCYP3A4HPGD
SCHEMBL7398650 0.85 ACHE (0.60) ACHEFFAR1POLBCYP3A4HPGD
SCHEMBL31240124 0.78 PTGS2 (0.65) FFAR1LMNAKEAP1NFE2L2
SCHEMBL13140284 0.78 FFAR1 (0.62) FFAR1
SCHEMBL19187731 0.77 TRPA1 (0.58) FFAR1KEAP1POLBL3MBTL1RAB9A
SCHEMBL6547015 0.77 CALM1 (0.50) LMNACALM1RAB9A
SCHEMBL11059353 0.76 TBXAS1 (0.63) FFAR1LMNAL3MBTL1HPGD
SCHEMBL4445084 0.76 TAAR1 (0.52) ACHEFFAR1POLBCYP3A4HPGD
SCHEMBL6178878 0.76 ALDH1A1 (0.50) ACHEFFAR1LMNAPOLBCYP3A4
SCHEMBL18980600 0.76 ALDH1A1 (0.50) ACHEFFAR1LMNAPOLBCYP3A4

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-107963976-A A kind of preparation method of phenyl ethyl amine compounds intermediate 中国动物疫病预防控制中心 2018-04-27 CN disclosed