SCHEMBL20182067

SCHEMBL20182067

CCC(C(=O)Nc1ccccc1)C(CC(C)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
KLK7 P49862 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.45
KCNQ2 O43526 1/20 0.44
TRPA1 O75762 1/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44

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
SCHEMBL14601403 0.81 TRPA1 (0.46) MEN1KMT2ALMNATRPA1
SCHEMBL23934938 0.80 TRPA1 (0.49) MEN1KMT2ALMNATRPA1
SCHEMBL12251346 0.79 MEN1 (0.58) MEN1KMT2ACRHBPCRHR2KLK7
SCHEMBL19433753 0.78 MAPT (0.49) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL13921533 0.77 MMP1 (0.51) MEN1KMT2ALMNATRPA1
SCHEMBL13948388 0.77 MMP1 (0.51) MEN1KMT2ALMNATRPA1
SCHEMBL13948382 0.77 MMP1 (0.51) MEN1KMT2ALMNATRPA1
SCHEMBL24767431 0.76 MEN1 (0.55) MEN1KMT2ACRHBPCRHR2KLK7
SCHEMBL1716524 0.75 TRPA1 (0.53) LMNAMAPK1TRPA1
SCHEMBL13903927 0.74 PKM (0.48) MEN1KMT2ATRPA1

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-2018094411-A1 POLYMER RESINS WITH PHOSPHONATE OLIGOMERS FRX POLYMERS, INC. (US) 2018-05-24 WO disclosed