SCHEMBL11602527

SCHEMBL11602527

CC(Oc1ccc(F)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.58
▸ PPARG P37231 10/20 0.58
▸ KCNN4 O15554 3/20 0.45
▸ CYP2C19 P33261 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ PPARD Q03181 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11600039 0.95 PPARA (0.61) PPARAPPARGKCNN4CYP2C19MAPT
SCHEMBL11601202 0.95 PPARG (0.54) PPARAPPARGKCNN4MEN1KMT2A
SCHEMBL11600958 0.88 PPARG (0.57) PPARAPPARGMEN1KMT2APPARD
SCHEMBL5691818 0.88 PPARG (0.61) PPARAPPARGKCNN4CYP2C19MAPT
SCHEMBL11599887 0.85 PPARA (0.68) PPARAPPARGCYP2C19MAPTMEN1
SCHEMBL27638956 0.85 PPARG (0.59) PPARAPPARGCYP2C19MAPTMEN1
SCHEMBL11394121 0.83 PPARA (0.58) PPARAPPARGCYP2C19MAPTMEN1
SCHEMBL5506491 0.83 PPARG (0.58) PPARAPPARGKCNN4CYP2C19MAPT
SCHEMBL11600576 0.83 PPARA (0.62) PPARAPPARGCYP2C19MAPTMEN1
SCHEMBL11565233 0.82 PPARA (0.53) PPARAPPARGCYP2C19MAPTMEN1

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
US-4072754-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-07 — — US disclosed
Send feedback