SCHEMBL6864828

SCHEMBL6864828

CC[CH]C(=O)NCCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
EPHX1 P07099 5/20 0.50
ACHE P22303 8/20 0.47
MMP2 P08253 2/20 0.47
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MMP1 P03956 1/20 0.42
CASP2 P42575 1/20 0.42

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
SCHEMBL937404 0.91 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1CASP2
SCHEMBL6864354 0.86
SCHEMBL1416032 0.84 ZDHHC20 (0.42) ZDHHC20ZDHHC2ACHEMAPT
SCHEMBL6863656 0.84 ZDHHC20 (0.52) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL1395631 0.81 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL1395670 0.81 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL4870992 0.81 ZDHHC20 (0.57) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL4894334 0.79
SCHEMBL1416228 0.79
SCHEMBL486681 0.79

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP claimed
US-4387206-A CHROMATOGRAPHY BAYER ERNST (DE) 1983-06-07 US claimed
US-6797699-B1 EXEMPLIFIED BY N'-L-ARGINYLSPERMIDINE UNIVERSITY OF SOUTHAMPTON (GB) 2004-09-28 US disclosed
EP-1040096-B1 NEUROPROTECTIVE AGENTS UNIV SOUTHAMPTON (GB) 2003-07-09 EP disclosed
US-6150351-A ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-21 US disclosed
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP disclosed