SCHEMBL6132307

SCHEMBL6132307

COCCCCCCCc1cc(C(=O)OC)ccc1S(=O)(=O)c1ccc(C(=O)OC)cc1CCCCCCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
VCAM1 P19320 1/20 0.41
CYP4A11 Q02928 3/20 0.40
CYP4F2 P78329 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL6133071 0.89 MAPT (0.45) ALDH1A1PKMTSHRMAPTPTGER4
SCHEMBL6132715 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAPKM
SCHEMBL14926429 0.74 CYP4A11 (0.71) ALDH1A1HPGDCYP4A11CYP4F2CYP1A2
SCHEMBL6132644 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAPKM
SCHEMBL26239641 0.72 MGLL (0.50) ALDH1A1KDM4EHPGDCYP4A11CYP4F2
SCHEMBL7064779 0.70 KDM4E (0.53) ALDH1A1KDM4EHPGDGAACYP4A11
SCHEMBL35610 0.70 MGLL (0.48) ALDH1A1KDM4EHPGDCYP4A11CYP4F2
SCHEMBL1127903 0.70 MAPT (0.40) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL6132306 0.70 LMNA (0.51) ALDH1A1HPGDCYP4A11CYP4F2SMN1; SMN2
SCHEMBL5072219 0.70 KDM4E (0.53) ALDH1A1KDM4EHPGDGAACYP4A11

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
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