SCHEMBL7333347

SCHEMBL7333347

CCCCCCOc1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RHEB Q15382 1/20 0.54
HDAC6 Q9UBN7 9/20 0.53
HDAC3 O15379 8/20 0.53
HDAC4 P56524 8/20 0.53
HDAC1 Q13547 8/20 0.53
HDAC7 Q8WUI4 8/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC10 Q969S8 8/20 0.53
HDAC11 Q96DB2 8/20 0.53

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
SCHEMBL7333360 0.92 PLG (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL7334119 0.90 RARB (0.62) PLGPLAUCHEK2TP53
SCHEMBL13305839 0.84 PLG (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29906102 0.83 KDM4E (0.75) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL25318263 0.83 KDM4E (0.75) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL465519 0.83 SIRT2 (0.62) HDAC6PLGPLAUCHEK2MAPT
SCHEMBL7334131 0.82 PLG (0.66) HDAC6PLGPLAUCHEK2TP53
SCHEMBL8768386 0.80 ATM (0.56) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL14381943 0.80 KDM4E (0.70) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL6178276 0.79 KDM4E (0.59) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed