SCHEMBL6132901

SCHEMBL6132901

COCCCCCCSC1CCN(c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.38
ENPP2 Q13822 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CHEK1 O14757 2/20 0.37
HPGDS O60760 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KCNH2 Q12809 1/20 0.37
F10 P00742 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6132511 0.87 ALDH1A1 (0.41) KDM4ELMNAALDH1A1MAPK1KMT2A
SCHEMBL6132838 0.86 GFER (0.45) USP2KDM4ELMNAGFERALDH1A1
SCHEMBL7325934 0.83 USP2 (0.45) USP2KDM4ELMNAGFERENPP2
SCHEMBL6132619 0.82 USP2 (0.58) USP2KDM4EENPP2ALDH1A1CHEK1
SCHEMBL6132615 0.81 ADRB1 (0.44)
SCHEMBL6132573 0.81 MAPT (0.42) USP2LMNACHEK1MAPT
SCHEMBL7417183 0.81 KDM4E (0.34) KDM4ELMNAALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL7331330 0.78 TSHR (0.57) KDM4ELMNAENPP2ALDH1A1THRA
Hydrochloric Acid SCHEMBL6132467 0.78 TSHR (0.57) KDM4ELMNAENPP2ALDH1A1THRA
SCHEMBL6132899 0.78 HDAC3 (0.49) GFERALDH1A1HDAC3HDAC8MAPT

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