SCHEMBL9858289

SCHEMBL9858289

Cc1ccc(OC(CCCCS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.51
PPARA Q07869 13/20 0.51
CTRC Q99895 1/20 0.51
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL9696460 0.89 PPARA (0.58) PPARGPPARACTRCALDH1A1CYP3A4
SCHEMBL10419468 0.81 PPARG (0.67) PPARGPPARACTRC
SCHEMBL3391374 0.80 PPARG (0.48) PPARGPPARACTRCALDH1A1CYP3A4
SCHEMBL9613979 0.79 PPARG (0.63) PPARGPPARACTRCALDH1A1KMT2A
SCHEMBL27277079 0.78 CTRC (0.56) PPARGPPARACTRC
SCHEMBL9614177 0.78 PPARG (0.61) PPARGPPARACTRCALDH1A1KMT2A
SCHEMBL11576734 0.77 CTRC (0.58) PPARGPPARACTRC
SCHEMBL9858462 0.77 MMP2 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL9696465 0.77 PPARA (0.55) PPARGPPARACTRC
SCHEMBL9614136 0.76 PPARG (0.56) PPARGPPARACTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1018548-B CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-07 CN disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed
CN-88100219-A New carboxylic acid derivative and preparation technology thereof and the medicinal compositions that contains these derivatives 1988-07-27 CN disclosed