SCHEMBL8409882

SCHEMBL8409882

CC(C)c1cccc(CCc2ccccc2)c1OCc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.55
TP53 P04637 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 2/20 0.52
GLRA1 P23415 1/20 0.50
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FOLH1 Q04609 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 1/20 0.47

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
SCHEMBL8406801 0.90 HPGD (0.50) MRGPRX4GLRA1HPGD
SCHEMBL8409959 0.89 PTGER4 (0.53) SMN1; SMN2GLRA1FOLH1MEN1HPGD
SCHEMBL8406366 0.85 HTR1A (0.53) GLRA1
SCHEMBL8409885 0.84 MRGPRX4 (0.55) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL8796653 0.81 PTGER4 (0.52) MRGPRX4SMN1; SMN2GLRA1FOLH1MEN1
SCHEMBL22480760 0.80 MRGPRX4 (0.73) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL6036279 0.76 GLRA1 (0.54) GLRA1HPGD
SCHEMBL8406586 0.74 GLRA1 (0.51) GLRA1HPGD
SCHEMBL16860678 0.74 GLRA1 (0.79) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL8408314 0.74 HPGD (0.50) TP53SMN1; SMN2PKMGLRA1RAB9A

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed