SCHEMBL22836716

SCHEMBL22836716

CC(O)Nn1ccccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.38
PSMB5 P28074 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
RGS12 O14924 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 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
SCHEMBL16654263 0.73
SCHEMBL11838294 0.72 FPR2 (0.41) KEAP1NFE2L2CYP2D6KMT2AALDH1A1
SCHEMBL8770339 0.71 L3MBTL1 (0.40) PSMB5KDM4ECYP3A4PKMTSHR
SCHEMBL1724268 0.69 MAPT (0.40) PSMB1PSMB5KDM4ECYP3A4CYP2C9
SCHEMBL8709695 0.68 NPC1 (0.34) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL8609402 0.68 SLC6A2 (0.45) CYP3A4TSHRCYP2C19SLC6A4
SCHEMBL10610999 0.67 L3MBTL1 (0.38) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL11389897 0.67 CRBN (0.46) PKMALDH1A1LMNA
SCHEMBL31119353 0.66 PSMB1 (0.31) PSMB1PSMB5TSHRPOLBNPSR1
SCHEMBL3530061 0.65 CYP1A2 (0.45) TSHRALOX12HSD17B10KMT2AALDH1A1

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-3989921-A1 SYNERGISTIC ANTI-INFLAMMATORY COMPOSITIONS The Procter & Gamble Company (US) 2022-05-04 EP claimed
WO-2020264577-A1 SYNERGISTIC ANTI-INFLAMMATORY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-12-30 WO claimed