SCHEMBL6132790

SCHEMBL6132790

Cc1cc(Br)cc(C)c1OCCCCCCCBr

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
KLK1 P06870 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL12634965 0.85 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6132273 0.85 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL8648702 0.85 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11241141 0.84 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL30123599 0.79 SCN8A (0.41) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL4743329 0.78 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL27458128 0.78 KMT2A (0.50) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL8417929 0.76 KMT2A (0.49) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL3182203 0.76 KMT2A (0.53) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL5591734 0.76 KMT2A (0.49) MEN1KMT2AKDM4EALDH1A1CYP1A2

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