SCHEMBL9562600

SCHEMBL9562600

CCCCOc1ccc(OC[C@H]2CC[C@H]([C@H]3CC[C@H](CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
PPARG P37231 2/20 0.33
PSEN1 P49768 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM2 Q14416 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
TLR4 O00206 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL15445816 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562596 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562592 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL10430230 0.97 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9924980 0.96 HTR2C (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL15445814 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL28686148 0.96 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL13417705 0.96 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562314 0.95 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562331 0.95 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES

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-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed