SCHEMBL7322929

SCHEMBL7322929

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
MAPT P10636 2/20 0.63
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
CTDSP1 Q9GZU7 2/20 0.61
RAB9A P51151 2/20 0.61
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 1/20 0.58
PLK1 P53350 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL6538953 0.95 CA1 (0.81) CA1CA2MAPTLMNAL3MBTL1
SCHEMBL16604876 0.91 CA1 (0.88) CA1CA2MAPTLMNAKMT2A
SCHEMBL269558 0.91 CA1 (0.88) CA1CA2MAPTLMNAKMT2A
SCHEMBL11705060 0.87 MAPT (0.79) CA1CA2MAPTLMNAL3MBTL1
Methyl 4-Methoxybenzoate SCHEMBL231243 0.85 CA1 (1.00) CA1CA2MAPTLMNAKMT2A
SCHEMBL11515705 0.85 CA1 (0.71) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL16751100 0.84 CA1 (0.75) CA1CA2MAPTLMNAL3MBTL1
SCHEMBL16573857 0.84 CA1 (0.75) CA1CA2MAPTLMNAL3MBTL1
SCHEMBL12895907 0.84 CA1 (0.75) CA1CA2MAPTLMNAL3MBTL1
SCHEMBL14527345 0.83 SMN1; SMN2 (0.63) MAPTLMNAL3MBTL1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed