SCHEMBL23875683

SCHEMBL23875683

CC(CC(=O)N(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
FFAR1 O14842 1/20 0.49
AOC3 Q16853 1/20 0.48
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
BCHE P06276 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 2/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 1/20 0.45
TRPA1 O75762 2/20 0.44

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
SCHEMBL27534985 0.84 TACR1 (0.55) HPGDCYP3A4CYP2C19POLBGAA
SCHEMBL7681247 0.82 LTB4R (0.51) LTB4RLTB4R2FFAR1AOC3HPGD
SCHEMBL27675321 0.81 ALDH1A1 (0.56) LTB4RLTB4R2FFAR1HPGDCYP3A4
SCHEMBL28810021 0.81 ACHE (0.39) LTB4RLTB4R2FFAR1HPGDPOLB
SCHEMBL25783367 0.81 TAAR1 (0.48) AOC3GAATAAR1
SCHEMBL30530341 0.81 AOC3 (0.52) AOC3GAA
SCHEMBL237091 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL7398650 0.79 ACHE (0.60) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL1149768 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL237090 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A

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-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed