SCHEMBL3946464

SCHEMBL3946464

O=C(O[C@@](C(=O)O)(C(=O)c1ccccc1)[C@H](O)C(=O)O)c1ccccc1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
CES1 P23141 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 4/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SRC P12931 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7686 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
SCHEMBL1483657 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
SCHEMBL2904556 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
SCHEMBL223031 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
SCHEMBL221679 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
SCHEMBL27362899 0.98 TSHR (0.43) TSHRTP53ALDH1A1LMNAF2
Water SCHEMBL1818831 0.97 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2
Water SCHEMBL789812 0.97 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2
Ammonia Solution, Strong SCHEMBL11444698 0.97 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2
SCHEMBL11542849 0.97 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2

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-1539684-B1 BENZENESULPHONAMIDES AND PROCESS FOR THEIR PREPARATION RICHTER GEDEON NYRT (HU) 2009-04-15 EP disclosed
EP-1539684-A1 BENZENESULPHONAMIDES AND PROCESS FOR THEIR PREPARATION RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2005-06-15 EP disclosed
WO-2004022532-A1 BENZENESULPHONAMIDES AND PROCESS FOR THEIR PREPARATION Richter Gedeon Vegyészeti Gyár Rt. (HU) 2004-03-18 WO disclosed