SCHEMBL9503382

SCHEMBL9503382

CC(C)(C)c1cc(OCc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.67
NR4A1 P22736 1/20 0.67
NR4A3 Q92570 1/20 0.67
MRGPRX4 Q96LA9 16/20 0.67
TP53 P04637 2/20 0.64
PKM P14618 2/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL8462073 0.84 RXRA (0.76) NR4A2NR4A1NR4A3SMN1; SMN2RAB9A
SCHEMBL9853926 0.84 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MRGPRX4TP53
SCHEMBL6836371 0.82 MRGPRX4 (0.75) NR4A2MRGPRX4TP53PKMNFKB1
Hydrochloric Acid SCHEMBL6843292 0.81 MRGPRX4 (0.73) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL7052396 0.81 NR4A2 (1.00) NR4A2NR4A1NR4A3MRGPRX4SMN1; SMN2
SCHEMBL4406160 0.81 NR4A2 (0.87) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL4138759 0.81 NR4A2 (0.81) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL22480871 0.80 MRGPRX4 (1.00) NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL22480781 0.80 MRGPRX4 (1.00) NR4A2MRGPRX4
SCHEMBL22481056 0.78 MRGPRX4 (1.00) NR4A2MRGPRX4TP53PKMNFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288305-B1 DI-T-BUTYLPHENYL ALKYL AND BENZYL ETHERS RIKER LABORATORIES, INC. (US) 1993-08-04 EP disclosed
US-4973731-A Di-t-butylphenyl alkyl and benzyl ether nitriles RIKER LABORATORIES, INC. (US) 1990-11-27 US disclosed
EP-0288305-A1 Di-t-butylphenyl alkyl and benzyl ethers RIKER LABORATORIES, INC. (US) 1988-10-26 EP disclosed