SCHEMBL9865227

SCHEMBL9865227

CC(C)(C)ON(C=O)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
LRRK2 Q5S007 3/20 0.44
PTGER1 P34995 2/20 0.41
HPGD P15428 2/20 0.41
SGMS2 Q8NHU3 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
CLCN2 P51788 1/20 0.40

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
SCHEMBL9865782 0.90 ALDH1A1 (0.42) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL9865900 0.80 RXRA (0.47) PTGER1HPGD
SCHEMBL21775803 0.79 FOLH1 (0.62) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL9867303 0.76 CSNK2A1 (0.42) KDM4EALDH1A1POLBHPGDMEN1
SCHEMBL12485977 0.75 CCNB2 (0.44) L3MBTL1PTGER1SGMS2
SCHEMBL9866039 0.74 LTA4H (0.46) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1648045 0.72 ALDH1A1 (0.73) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL9865221 0.72 FOLH1 (0.53) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1647381 0.72 FOLH1 (0.67) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL344398 0.72 FOLH1 (0.70) FOLH1KDM4EALDH1A1POLBL3MBTL1

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed