SCHEMBL7420362

SCHEMBL7420362

COCCCCCCCS(=O)(=O)c1ccc(-c2coc(-c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SMO Q99835 2/20 0.37
MMP13 P45452 1/20 0.36
RARB P10826 3/20 0.36
PHGDH O43175 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PTPN11 Q06124 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHEK1 O14757 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6132909 0.84 NR1H4 (0.44) RARB
SCHEMBL6132679 0.84 NR1H4 (0.44) RARB
SCHEMBL6133069 0.83 TSHR (0.46) HDAC1HDAC2RARBTP53
SCHEMBL2362233 0.76 RARB (0.67) NPC1RARBPTPN11TP53
SCHEMBL2356522 0.76 RARB (0.67) NPC1RARBPTPN11TP53
SCHEMBL6132385 0.76 RARB (0.47) RARBS1PR1S1PR3
SCHEMBL6132386 0.75 MAPT (0.52) NPC1S1PR1TP53
SCHEMBL6132384 0.75 MAPT (0.52) NPC1S1PR1TP53
SCHEMBL7215190 0.75 ENPP3 (0.70) ENPP3ENPP1MEN1NPC1KMT2A
SCHEMBL16378628 0.75 ENPP3 (0.70) ENPP3ENPP1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed