SCHEMBL9562331

SCHEMBL9562331

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

nearest known ligand 0.37

Predicted protein targets (top 18)

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
CYP1A2 P05177 2/20 0.34
PPARG P37231 2/20 0.33
PSEN1 P49768 1/20 0.33
HRH3 Q9Y5N1 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

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
SCHEMBL9562322 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562314 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL15445823 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL10430230 0.97 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL15445820 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL15445824 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562724 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562435 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562442 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL26045152 0.96 RIPK1 (0.36) 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