SCHEMBL15519729

SCHEMBL15519729

Cc1cc(C(O)c2cc3cc(C(F)(F)F)cnc3n2S(=O)(=O)c2cccc(C(C)(C)C)c2)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ACLY P53396 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 1/20 0.33
▸ PTGES O14684 1/20 0.32

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
SCHEMBL15519675 0.90 TRPM8 (0.34) MEN1GAAKMT2ATP53MAPT
SCHEMBL15519975 0.90 TP53 (0.39) TP53MAPTTRPM8L3MBTL1KDM4E
SCHEMBL14054353 0.85 MAPT (0.37) MEN1KMT2ATP53MAPTL3MBTL1
SCHEMBL15519812 0.82 TRPM8 (0.37) MEN1GAAKMT2ATP53MAPT
SCHEMBL15519728 0.80 TRPM8 (0.42) TP53MAPTTRPM8L3MBTL1
SCHEMBL15519817 0.80 TRPM8 (0.37) TP53MAPTTRPM8KDM4EALDH1A1
SCHEMBL14053977 0.76 CYP3A4 (0.36) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL12096891 0.75 PPARG (0.45) TP53MAPTACLYNPSR1RORC
SCHEMBL14054035 0.75 TRPM8 (0.44) TRPM8RORC
SCHEMBL15519981 0.75 TRPM8 (0.36) TP53TRPM8KDM4EALDH1A1RORC

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-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP claimed
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