SCHEMBL9503441

SCHEMBL9503441

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
ELANE P08246 1/20 0.46
CD69 Q07108 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MCL1 Q07820 1/20 0.45
ALB P02768 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL9504508 0.98 PPARA (0.49) PPARAFFAR1PPARGPPARDELANE
SCHEMBL13778190 0.83 SMN1; SMN2 (0.65) PPARARXRARXRBALBSMN1; SMN2
SCHEMBL1194300 0.82 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL1194299 0.82 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL1194371 0.82 HDAC1 (0.49) PPARAFFAR1PPARGPPARDALB
SCHEMBL9503312 0.79 SMN1; SMN2 (0.68) FFAR1ELANECD69RXRARXRB
SCHEMBL12793277 0.78 SMN1; SMN2 (0.67) PPARARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL10930837 0.78 FFAR4 (0.50) FFAR1RXRARXRBRXRGMCL1
SCHEMBL15048513 0.77 L3MBTL1 (0.53) PPARAFFAR1PPARGPPARDMCL1
SCHEMBL7879116 0.77 GABRA1 (0.41) SMN1; SMN2CNR1CNR2

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