SCHEMBL2591937

SCHEMBL2591937

O=S(=O)(O)N1CCCCCCCC1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 4/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.34
FKBP1A P62942 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2592781 1.00 CA1 (0.52) CA1CA2POLBTSHRKMT2A
SCHEMBL2593490 1.00 CA1 (0.52) CA1CA2POLBTSHRKMT2A
SCHEMBL3681074 0.97 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL2590451 0.97 CA1 (0.48) CA1CA2POLBTSHRKMT2A
SCHEMBL917445 0.97 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL15247354 0.97 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL15247350 0.97 CA1 (0.55) CA1CA2POLBTSHRKMT2A
Hydrochloric Acid SCHEMBL27628389 0.94 CA1 (0.52) CA1CA2POLBTSHRKMT2A
SCHEMBL1335069 0.94
Hydrochloric Acid SCHEMBL27580788 0.91 CA1 (0.48) CA1CA2POLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
EP-2567229-A1 METHODS TO IDENTIFY MODULATORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed