SCHEMBL6132794

SCHEMBL6132794

COC1(C2CCC(=O)CC2)CCC(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6132212 0.90 LMNA (0.34) ALDH1A1CYP3A4THRBMAPK1MAPT
SCHEMBL6132332 0.88 PDE4A (0.33) ALDH1A1CYP3A4THRBMAPK1MAPT
SCHEMBL18878206 0.71
SCHEMBL7783061 0.70 MEN1 (0.33) ALDH1A1CYP3A4
SCHEMBL8488027 0.69 CYP3A4 (0.37) ALDH1A1CYP3A4THRBMAPK1MAPT
SCHEMBL3039523 0.67 MEN1 (0.34) ALDH1A1
SCHEMBL12389946 0.67 HSD11B1 (0.39) HSD11B1
SCHEMBL15897356 0.67 CYP3A4 (0.35) ALDH1A1CYP3A4THRBMAPK1MAPT
SCHEMBL7735455 0.66 HSD11B1 (0.35) HSD11B1
SCHEMBL12389949 0.66 HSD11B1 (0.35) HSD11B1

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 1 patent. 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