SCHEMBL9853926

SCHEMBL9853926

CC(C)(C)c1cc(OCc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 17/20 0.62
TP53 P04637 2/20 0.61
PKM P14618 2/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
NR4A2 P43354 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57

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
SCHEMBL9854008 0.85 RXRA (0.63) SMN1; SMN2RAB9ANR4A2NR4A1NR4A3
SCHEMBL9503382 0.84 NR4A2 (0.67) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480752 0.80 MRGPRX4 (0.76) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL11776437 0.80 MEN1 (0.52) NR4A2NR4A1NR4A3
SCHEMBL6836371 0.80 MRGPRX4 (0.75) MRGPRX4TP53PKMNFKB1NFKB2
Hydrochloric Acid SCHEMBL6843292 0.79 MRGPRX4 (0.73) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4406160 0.78 NR4A2 (0.87) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4138759 0.78 NR4A2 (0.81) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480542 0.77 MRGPRX4 (1.00) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL13976376 0.77 MRGPRX4 (0.41) MRGPRX4TP53PKMNFKB1NFKB2

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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed