SCHEMBL9696941

SCHEMBL9696941

CC(CCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
PPARA Q07869 13/20 0.48
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A9 P48067 2/20 0.42
FOLH1 Q04609 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CTRC Q99895 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9614136 0.85 PPARG (0.56) PPARGPPARAFOLH1MTNR1AMTNR1B
SCHEMBL9613840 0.85 PPARG (0.59) PPARGPPARATDP1FOLH1CTRC
SCHEMBL9614239 0.81 PPARG (0.63) PPARGPPARACTRC
SCHEMBL9696796 0.81 PPARG (0.63) PPARGPPARACTRC
SCHEMBL9614339 0.80 PPARA (0.68) PPARGPPARA
SCHEMBL28631721 0.79 PPARG (0.60) PPARGPPARAMAPTTDP1L3MBTL1
SCHEMBL9696319 0.78 PPARG (0.61) PPARGPPARACTRCSMN1; SMN2
SCHEMBL8935640 0.76 SMN1; SMN2 (0.59) PPARGPPARAMAPTTDP1L3MBTL1
SCHEMBL8935642 0.76 SMN1; SMN2 (0.59) PPARGPPARAMAPTTDP1L3MBTL1
SCHEMBL9696349 0.76 PPARG (0.45) PPARGPPARASLC6A9CTRC

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
WO-1992017435-A1 OPTICALLY ACTIVE CARBOXYLIC ACIDS AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-15 WO disclosed
EP-0507238-A1 Optically active carboxylic acids and medicinal preparations containing them Roche Diagnostics GmbH (DE) 1992-10-07 EP disclosed