SCHEMBL6132715

SCHEMBL6132715

COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2CCCCCCCBr)c(CCCCCCCBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 3/20 0.44
PKM P14618 1/20 0.44
VCAM1 P19320 1/20 0.42
CYP4A11 Q02928 4/20 0.41
CYP4F2 P78329 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL6132307 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAPKM
SCHEMBL6133071 0.77 MAPT (0.45) ALDH1A1PKMTSHRMAPTTP53
SCHEMBL6616357 0.76 MAPT (0.51) ALDH1A1MAPTATMHIF1A
SCHEMBL6132644 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAPKM
SCHEMBL26239641 0.73 MGLL (0.50) ALDH1A1KDM4EHPGDCYP4A11CYP4F2
SCHEMBL19078992 0.71 CYP4A11 (0.76) ALDH1A1KDM4EHPGDCYP4A11CYP4F2
SCHEMBL2173758 0.71 CYP4A11 (0.75) ALDH1A1HPGDCYP4A11CYP4F2CYP1A2
SCHEMBL9263244 0.71 GPR84 (0.64) ALDH1A1KDM4EHPGDCYP1A2TSHR
SCHEMBL20644282 0.71 CCR6 (0.49) ALDH1A1KDM4EHPGDGAACYP4A11
SCHEMBL6618854 0.71 ALDH1A1 (0.49) 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