Hypochlorous Acid

Hypochlorous Acid

SCHEMBL2245178

C[C@@H](COc1cccc(CC(=O)O)c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.OCl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.98
NR1H2 P55055 19/20 0.98
RXRA P19793 2/20 0.76
MEN1 O00255 1/20 0.76
NR1I2 O75469 1/20 0.76
ALDH1A1 P00352 1/20 0.76
MAPT P10636 1/20 0.76
VHL P40337 1/20 0.76
RECQL P46063 1/20 0.76
BLM P54132 1/20 0.76
KMT2A Q03164 1/20 0.76

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
SCHEMBL3982481 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3982484 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3983081 0.99 NR1H3 (1.00) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3979095 0.98 NR1H3 (0.98) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3984789 0.98 NR1H3 (0.98) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3979089 0.98 NR1H3 (0.98) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4953150 0.93 NR1H3 (0.89) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4949969 0.93 NR1H3 (0.89) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4949961 0.93 NR1H3 (0.89) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL4949762 0.93 NR1H3 (0.88) NR1H3NR1H2RXRAMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907564-B1 LXR LIGAND TESTING METHOD DAIICHI SANKYO CO LTD (JP) 2013-10-23 EP disclosed
US-7989179-B2 LXR ligand testing method DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-20090098570-A1 Lxr ligand testing method EXELIXIS, INC. 2009-04-16 US disclosed