SCHEMBL14158902

SCHEMBL14158902

CC(C)(C)OC(Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.49
MAPT P10636 1/20 0.46
PPARG P37231 16/20 0.45
PPARA Q07869 13/20 0.45
CYP1A2 P05177 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
SCHEMBL1707662 0.88 PPARG (0.59) PPARGPPARA
SCHEMBL28216110 0.86 SRR (0.61) SRRPPARGPPARA
SCHEMBL28216109 0.86 SRR (0.61) SRRPPARGPPARA
SCHEMBL1707734 0.85 ESR1 (0.43) MAPT
SCHEMBL13844146 0.83 PPARG (0.35) SRRMAPTPPARGPPARA
SCHEMBL8462971 0.77 MDM2 (0.55) MAPTCYP1A2
SCHEMBL24086638 0.75 MAPT (0.50) MAPTCYP1A2
SCHEMBL15581409 0.75 HPGD (0.53) MAPTCYP1A2
SCHEMBL6649419 0.75 HPGD (0.53) MAPTCYP1A2
SCHEMBL8908699 0.75 MAPT (0.50) MAPTCYP1A2

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-1281766-B1 Process for producing polyester, process for producing substituted alpha-hydroxy acid, and Clostridium beijerinckii strain HICA432 CANON KK (JP) 2008-06-04 EP disclosed