SCHEMBL16598014

SCHEMBL16598014

O=S(=O)(Cc1ccccc1)OC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FAAH O00519 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
PRSS3 P35030 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 3/20 0.39
RORC P51449 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL8338883 0.85 KMT2A (0.50) KMT2ACA1CA2FAAHPRSS1
SCHEMBL20335469 0.83 KMT2A (0.49) KMT2ACA1CA2FAAHPRSS1
SCHEMBL4932875 0.83 HPGD (0.50) KMT2ACA1CA2FAAHPRSS1
SCHEMBL30392935 0.81 HRH1 (0.49) KMT2ACA1CA2FAAHPRSS1
SCHEMBL3632544 0.76 KMT2A (0.41) KMT2ACA1CA2FAAHPRSS1
SCHEMBL8189491 0.74 KMT2A (0.42) KMT2ACA1CA2CA9LMNA
SCHEMBL12816499 0.73 KMT2A (0.41) KMT2ACA1CA2FAAHPRSS1
SCHEMBL29384157 0.73 NPSR1 (0.64) KMT2ALMNAALDH1A1HPGDHSD17B10
SCHEMBL2566376 0.71 CA1 (0.31) CA1CA2
SCHEMBL28978008 0.71 SMN1; SMN2 (0.62) KMT2AHTTSMN1; SMN2NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049396-A1 PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS Boehringer Ingelheim International GmbH (DE) 2016-08-03 EP disclosed
WO-2015044073-A1 PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-02 WO disclosed