SCHEMBL9503358

SCHEMBL9503358

CC(C)(C)c1cc(OCc2ccc(C#N)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.54
▸ RAB9A P51151 1/20 0.50
▸ APP P05067 1/20 0.50
▸ KIF11 P52732 1/20 0.46
▸ SMPD1 P17405 1/20 0.46
▸ NR4A2 P43354 2/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ MAOA P21397 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL13439789 0.87 APP (0.66) MAOBRAB9AAPPKIF11NR4A2
SCHEMBL13439830 0.87 SMPD1 (0.55) MAOBRAB9AAPPSMPD1NR4A2
SCHEMBL23235861 0.86 MAOB (0.56) MAOBRAB9AAPPKIF11SMPD1
SCHEMBL9503621 0.84 FFAR1 (0.52) MAOBMAOA
SCHEMBL23566110 0.81 MAOB (0.54) MAOBRAB9AKIF11SMPD1MAOA
SCHEMBL9417707 0.81 MAOB (0.50) MAOBRAB9AAPPSMPD1MAOA
SCHEMBL18664184 0.79 MAOB (0.81) MAOBRAB9AAPPSMPD1MAOA
SCHEMBL29741480 0.79 MAOB (0.81) MAOBRAB9AAPPSMPD1MAOA
SCHEMBL23540967 0.79 MAOB (0.59) MAOBRAB9AAPPKIF11SMPD1
SCHEMBL23541194 0.79 MAOB (0.59) MAOBRAB9AAPPSMPD1MAOA

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
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