SCHEMBL6988170

SCHEMBL6988170

[CH2]C(CCC(=O)OCC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL9656517 0.87 KMT2A (0.47) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL28568682 0.86 TSHR (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL9191996 0.86 TSHR (0.50) KMT2AGAAMGAMSIMGAM2
SCHEMBL6825006 0.85 L3MBTL1 (0.46) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL4366941 0.81 L3MBTL1 (0.44) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL271848 0.80 GAA (0.50) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL12046288 0.80 L3MBTL1 (0.53) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL8866706 0.78 L3MBTL1 (0.47) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL27710501 0.78 L3MBTL1 (0.51) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL9678261 0.78 L3MBTL1 (0.47) L3MBTL1KMT2APOLBGAAMGAM

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-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
US-4066759-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US disclosed