SCHEMBL8710104

SCHEMBL8710104

OC(CCC[C@@H](O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
AOC3 Q16853 5/20 0.54
BCAT2 O15382 1/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4837244 1.00 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL29860819 1.00 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11828179 0.94 RIPK1 (0.61) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3081755 0.92 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5185803 0.92 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL10251920 0.89 AOC3 (0.58) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL15355244 0.87 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2316371 0.87 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL8907610 0.85 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL6199357 0.85 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1AOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739396-A CHIRAL COMPOUND COMPRISING CHIRAL BACKBONE TO WHICH IS BOUND TWO OR THREE METAL BINDING MOIETIES STANFORD UNIVERSITY (US) 1998-04-14 US disclosed
WO-1993012260-A2 ASYMMETRIC LIGANDS USEFUL FOR TRANSITION METAL CATALYZED BOND FORMING REACTIONS BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 1993-06-24 WO disclosed