SCHEMBL16270983

SCHEMBL16270983

C=CC1CCC(COc2ccc(OCC3CCC(C4CCC(CCC)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 3/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
TLR4 O00206 1/20 0.30

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
SCHEMBL16270982 0.96 RIPK1 (0.37) RIPK1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL3269626 0.92 CNR2 (0.32) RIPK1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL3267937 0.92 CNR2 (0.32) RIPK1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL12994095 0.92 CNR2 (0.32) RIPK1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL12994090 0.92 CNR2 (0.32) RIPK1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL1853885 0.91 HTR2C (0.34) RIPK1HTR2CHTR2AHTR2BPDE4A
SCHEMBL1853883 0.91 HTR2C (0.34) RIPK1HTR2CHTR2AHTR2BPDE4A
SCHEMBL1853880 0.91 HTR2C (0.34) RIPK1HTR2CHTR2AHTR2BPDE4A
SCHEMBL26036396 0.91 HTR2C (0.34) RIPK1HTR2CHTR2AHTR2BPDE4A
SCHEMBL24170300 0.91 HTR2C (0.37) RIPK1HTR2CHTR2AHTR2BPDE4A

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-2808376-B1 METHOD FOR PRODUCING COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2017-09-20 EP disclosed
US-9441159-B2 Method for producing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-9441159-B2 Method for producing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-20160102252-A1 METHOD FOR PRODUCING COMPOSITION DIC CORPORATION (JP) 2016-04-14 US disclosed
US-20160102252-A1 METHOD FOR PRODUCING COMPOSITION DIC CORPORATION (JP) 2016-04-14 US disclosed
EP-2808376-A1 METHOD FOR PRODUCING COMPOSITION DIC Corporation (JP) 2014-12-03 EP disclosed