SCHEMBL7313799

SCHEMBL7313799

CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2ccc(OCCCCOc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
KMT2A Q03164 3/20 0.53
CTDSP1 Q9GZU7 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.47
RARB P10826 5/20 0.47
MAPT P10636 1/20 0.47
PLK1 P53350 1/20 0.46
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46

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
SCHEMBL17825485 0.85 TP53 (0.56) KMT2AGAARARBMAPTPLK1
SCHEMBL864308 0.84 HDAC1 (0.61) KMT2AALDH1A1RAB9ANPC1CASP3
SCHEMBL7316966 0.82 MAPT (0.71) POLBKMT2ACTDSP1ALDH1A1RAB9A
SCHEMBL3842089 0.80 SMN1; SMN2 (0.56) POLBKMT2ACTDSP1ALDH1A1RAB9A
SCHEMBL7324996 0.80 MAPT (0.71) POLBKMT2ACTDSP1ALDH1A1RAB9A
SCHEMBL7324247 0.77 MAPT (0.63) KMT2AALDH1A1RAB9ANPC1MEN1
SCHEMBL14266880 0.77 MAPT (0.58) KMT2ACTDSP1ALDH1A1RAB9ANPC1
SCHEMBL23801462 0.76 MAPT (0.69) KMT2AALDH1A1RAB9ANPC1GAA
SCHEMBL6538532 0.75 MAPT (0.77) POLBKMT2ACTDSP1ALDH1A1RAB9A
SCHEMBL3995452 0.75 CYP17A1 (0.55) POLBALDH1A1GAAHDAC1HDAC6

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