SCHEMBL16360944

SCHEMBL16360944

BCCC[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ RIPK1 Q13546 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ AOC3 Q16853 5/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ BCAT2 O15382 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29860819 0.85 RIPK1 (0.61) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL4837244 0.85 RIPK1 (0.61) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL11828179 0.85 RIPK1 (0.61) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL8710104 0.85 RIPK1 (0.61) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL3081755 0.83 RIPK1 (0.64) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL5185803 0.83 RIPK1 (0.64) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL7417534 0.82 HRH1 (0.68) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL4281797 0.82 HRH1 (0.68) LMNARIPK1KDM4EL3MBTL1AOC3
Hydrochloric Acid SCHEMBL326015 0.80 HRH1 (0.65) LMNARIPK1KDM4EL3MBTL1AOC3
SCHEMBL15355244 0.79 RIPK1 (0.55) LMNARIPK1KDM4EL3MBTL1AOC3

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
WO-2012120053-A1 BRANCHED OXATHIAZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
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