SCHEMBL2938789

SCHEMBL2938789

CC(=O)O[C@H](CC#N)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 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
SCHEMBL2938792 1.00 STAT3 (0.38) STAT3GLAALDH1A1MAPK1LMNA
SCHEMBL8423991 0.88 STAT3 (0.44) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL5473718 0.84 STAT3 (0.41) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL5473721 0.84 STAT3 (0.41) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL5473716 0.84 STAT3 (0.41) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL14042906 0.83 STAT3 (0.40) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL13117673 0.83 STAT3 (0.40) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL9771979 0.83 AR (0.41) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL5471181 0.83 AR (0.41) STAT3ALDH1A1MAPK1LMNADHODH
SCHEMBL5475793 0.83 AR (0.41) STAT3ALDH1A1MAPK1LMNADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869199-B1 A CHEMOENZYMATIC PROCESS FOR THE STEREOSELECTIVE PREPARATION OF (R)-GAMMA-AMINO-BETA-HYDROXYBUTYRIC ACID ((R) -GABOB) AND (R)-CARNITINE COUNCIL SCIENT IND RES (IN) 2010-01-06 — — EP claimed
US-7816119-B2 Chemoenzymatic process for the stereoselective preparation of (R)-γ-amino-β-hydroxybutyric acid or (R)-carnitine from 3,4-dihydroxybutanenitrile COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-10-19 — — US disclosed
EP-1869199-B1 A CHEMOENZYMATIC PROCESS FOR THE STEREOSELECTIVE PREPARATION OF (R)-GAMMA-AMINO-BETA-HYDROXYBUTYRIC ACID ((R) -GABOB) AND (R)-CARNITINE COUNCIL SCIENT IND RES (IN) 2010-01-06 — — EP disclosed
US-20090233337-A1 Chemoenzymatic Process for the Stereoselective Preparation of (R)-Gamma-Amino-Beta-Hydroxybutyric Acid [(R)-GABOB) and (R)-Carnitine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-17 — — US disclosed
Send feedback