SCHEMBL6133071

SCHEMBL6133071

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CDC25B P30305 1/20 0.42
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGER4 P35408 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
LTB4R Q15722 1/20 0.38
HCAR3 P49019 1/20 0.38

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 0.89 ALDH1A1 (0.43) MAPTPKMALDH1A1PTGER4TSHR
SCHEMBL2936640 0.78 CA12 (0.56) MAPTPKMALDH1A1TSHRLTB4R
SCHEMBL28823832 0.78 SLC16A3 (0.46) ALDH1A1PTGER4TP53TSHRPLA2G4B
SCHEMBL6132715 0.77 ALDH1A1 (0.44) MAPTPKMALDH1A1TP53TSHR
SCHEMBL27771418 0.75 ALDH1A1 (0.43) MAPTPKMALDH1A1PTGER4TP53
SCHEMBL15554479 0.74 RARB (0.61) MAPTALDH1A1TP53TSHRPLA2G4B
SCHEMBL28182586 0.74 ALDH1A1 (0.43) MAPTALDH1A1PTGER4TP53TSHR
SCHEMBL28427204 0.72 ALDH1A1 (0.48) MAPTALDH1A1PTGER4TP53TSHR
SCHEMBL1127903 0.71 MAPT (0.40) MAPTALDH1A1TSHR
SCHEMBL29673324 0.71 MAPT (0.50) MAPTCDC25BPKMALDH1A1PTGER4

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