SCHEMBL9695301

SCHEMBL9695301

COc1ccccc1CCCCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
PPARG P37231 7/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
CTRC Q99895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9696328 0.88 PPARA (0.48) PPARAPPARGCTRCPOLB
SCHEMBL10420114 0.88 PPARA (0.48) PPARAPPARGCTRCPOLB
SCHEMBL9695308 0.86 PPARA (0.48) PPARAPPARGCTRCPOLB
SCHEMBL9696349 0.85 PPARG (0.45) PPARAPPARGNPSR1CTRCMEN1
SCHEMBL9696796 0.84 PPARG (0.63) PPARAPPARGCTRCPOLB
SCHEMBL9614239 0.84 PPARG (0.63) PPARAPPARGCTRCPOLB
SCHEMBL9614213 0.82 PPARA (0.56) PPARAPPARGMAPTCTRCALDH1A1
SCHEMBL9696319 0.81 PPARG (0.61) PPARAPPARGCTRC
SCHEMBL9613840 0.78 PPARG (0.59) PPARAPPARGCTRCKDM4EALDH1A1
SCHEMBL9696474 0.77 PPARG (0.56) PPARAPPARGCTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP claimed
EP-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP disclosed