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SCHEMBL13660768

SCHEMBL13660768

C[C@H](C(C(=O)Nc1cccc(CC2(C(=O)O)CC2)c1)c1ccc(CN2Cc3ccccc3C2=O)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ BDKRB1 P46663 1/20 0.36

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
SCHEMBL3702660 1.00 THRB (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL3704735 1.00 THRB (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL7602101 0.95 MAPT (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL7606170 0.95 MAPT (0.40) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872085 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872084 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872081 0.91 THRB (0.39) THRBMAPTMEN1KMT2AHDAC1
SCHEMBL12872206 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA
SCHEMBL12872208 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA
SCHEMBL1178525 0.89 IDH1 (0.35) THRBMAPTMEN1KMT2ALMNA

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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 — — WO disclosed