SCHEMBL6452349

SCHEMBL6452349

CCCCC1CC[C@@H]2CC(c3cc(F)c4cc(C(=O)OCC)ccc4c3)CC[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR7 P34969 3/20 0.33
HCRTR1 O43613 2/20 0.33
FDFT1 P37268 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6452350 1.00 PTGER4 (0.36) PTGER4HDAC3HDAC1HDAC2HDAC8
SCHEMBL7918540 0.92 ALDH1A1 (0.34) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL7918537 0.92 ALDH1A1 (0.34) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL7917820 0.89 GRM2 (0.36) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6456747 0.89 GRM2 (0.36) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6451819 0.88 GRM2 (0.38) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6453641 0.88 GRM2 (0.38) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6453645 0.88 GRM2 (0.38) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL7917871 0.88 GRM2 (0.38) PTGER4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6453068 0.86 ALDH1A1 (0.39) PTGER4ALDH1A1KDM4EHPGDHSD17B10

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed