SCHEMBL8409885

SCHEMBL8409885

CCc1ccccc1-c1cccc(C(C)C)c1OCc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.55
TP53 P04637 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
GLRA1 P23415 1/20 0.48
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL8406806 0.89 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2GLRA1RAB9AHPGD
SCHEMBL8409882 0.84 MRGPRX4 (0.55) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL8796658 0.81 RXRA (0.47) MRGPRX4GLRA1MEN1HPGDKMT2A
SCHEMBL22480760 0.78 MRGPRX4 (0.73) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL8406801 0.75 HPGD (0.50) MRGPRX4GLRA1HPGD
SCHEMBL8798903 0.74 RXRA (0.49) SMN1; SMN2RAB9AMEN1NPC1HPGD
SCHEMBL8408542 0.74 MRGPRX4 (0.45) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL8409959 0.74 PTGER4 (0.53) SMN1; SMN2GLRA1MEN1HPGDKMT2A
SCHEMBL8409037 0.73 RXRA (0.53) SMN1; SMN2RAB9AMEN1NPC1HPGD
SCHEMBL16860678 0.73 GLRA1 (0.79) MRGPRX4TP53NFKB1NFKB2RELA

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