SCHEMBL9562599

SCHEMBL9562599

CCCCCCCC1CCC(C2CCC(COc3ccc(OCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 2/20 0.33
PSEN1 P49768 1/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GRM2 Q14416 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL9562591 1.00 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562603 1.00 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562435 0.99 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562449 0.99 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562442 0.99 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL26045152 0.99 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562653 0.96 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562643 0.96 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL9562664 0.96 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPTGES
SCHEMBL26045153 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