SCHEMBL7334131

SCHEMBL7334131

CCCCCCOc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.66
PLAU P00749 4/20 0.66
CHEK2 O96017 9/20 0.65
MPL P40238 1/20 0.62
RARB P10826 3/20 0.62
NR4A2 P43354 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL7334119 0.91 RARB (0.62) PLGPLAUCHEK2MPLRARB
SCHEMBL7333360 0.90 PLG (0.62) PLGPLAUCHEK2HDAC6
SCHEMBL1663391 0.89 CHEK2 (0.80) PLGPLAUCHEK2NR4A2HDAC6
SCHEMBL13305839 0.85 PLG (0.60) PLGPLAUCHEK2HDAC6
SCHEMBL27573983 0.85 CHEK2 (0.69) PLGPLAUCHEK2MPLNR4A2
SCHEMBL20982527 0.84 CHEK2 (0.78) PLGPLAUCHEK2NR4A2HDAC6
SCHEMBL1662761 0.82 CHEK2 (0.93) CHEK2NR4A2TP53TSHR
SCHEMBL7333347 0.82 SMN1; SMN2 (0.54) PLGPLAUCHEK2HDAC6TP53
SCHEMBL20982644 0.82 NR4A2 (0.86) CHEK2NR4A2HDAC6
SCHEMBL18229635 0.81 HDAC6 (0.80) PLGPLAUCHEK2HDAC6

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