SCHEMBL9504508

SCHEMBL9504508

CC(C)(C)c1cc(OCCCCCCC(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
FFAR1 O14842 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
ALB P02768 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ELANE P08246 1/20 0.45
CD69 Q07108 1/20 0.45
PLA2G4B P0C869 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
SCHEMBL9503441 0.98 PPARA (0.47) PPARAFFAR1PPARGPPARDALB
SCHEMBL1194371 0.84 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL1194300 0.84 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL1194299 0.84 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL13778190 0.82 SMN1; SMN2 (0.65) PPARAALBALDH1A1PLA2G4BRXRA
SCHEMBL9503312 0.78 SMN1; SMN2 (0.68) FFAR1ELANECD69RXRARXRB
SCHEMBL12750809 0.77 PPARA (0.56) PPARAFFAR1PPARGPPARDALB
SCHEMBL12793277 0.77 SMN1; SMN2 (0.67) PPARAALDH1A1RXRARXRBSMN1; SMN2
SCHEMBL10930837 0.77 FFAR4 (0.50) FFAR1RXRARXRBRXRGMCL1
SCHEMBL15048513 0.76 L3MBTL1 (0.53) PPARAFFAR1PPARGPPARDALB

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