SCHEMBL4961609

SCHEMBL4961609

CCC(c1cccc(Cl)c1)C(OB(O)O)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
KIF11 P52732 1/20 0.32
ACP3 P15309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4640598 0.88 SCN5A (0.39) AOC3SLC6A2SLC6A4SCN5ASCN9A
SCHEMBL4961262 0.82 EDNRB (0.37) AOC3ALDH1A1
SCHEMBL4959261 0.82 IDO1 (0.33) NPSR1SLC6A2SLC6A4KIF11ALDH1A1
SCHEMBL532851 0.79 LMNA (0.39) LMNATSHRALDH1A1
SCHEMBL3623440 0.77 LMNA (0.38) LMNATSHR
Ammonia Solution, Strong SCHEMBL8366918 0.77 LMNA (0.38) LMNATSHRALDH1A1
SCHEMBL7747171 0.77 LMNA (0.38) LMNATSHRALDH1A1
SCHEMBL7661735 0.77 OPRM1 (0.39) AOC3SCN5ASCN9AOPRM1OPRD1
Trimethylammonium SCHEMBL9451107 0.75 LMNA (0.36) AOC3LMNATSHRSLC6A4ALDH1A1
Tetramethylammonium Ion SCHEMBL2428729 0.75 LMNA (0.36) LMNATSHR

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-1032576-B1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
EP-1032576-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON $g(a)-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES Ciba SC Holding AG (CH) 2000-09-06 EP disclosed
WO-1998038195-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON α-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-09-03 WO disclosed