SCHEMBL28111862

SCHEMBL28111862

CCC(C)C(=O)Oc1ccc(O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
SCN5A Q14524 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B2 P37059 1/20 0.36
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 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
SCHEMBL28679175 0.80 KMT2A (0.49) KMT2ASCN5ACA12CA1CA2
SCHEMBL28111866 0.79 KMT2A (0.35) KMT2AATMPOLBAPEX1CA12
SCHEMBL8738354 0.78 ESR1 (0.44) KMT2APOLBALOX15GAAMAPT
SCHEMBL27721743 0.77 KMT2A (0.44) KMT2APOLBCA12CA1CA2
SCHEMBL16942547 0.76 KMT2A (0.38) KMT2AATMPOLBAPEX1ALOX15
SCHEMBL15548526 0.75 KMT2A (0.49) KMT2AATMPOLBAPEX1ALOX15
SCHEMBL15447053 0.75 LMNA (0.45) KMT2AATMPOLBAPEX1ALOX15
SCHEMBL4090840 0.73 TDP1 (0.48) KMT2AATMKDM4EL3MBTL1HPGD
SCHEMBL7538049 0.73 PIM1 (0.53) KMT2APOLBGAAKDM4EMAPT
SCHEMBL15447054 0.73 MAPT (0.43) KMT2AATMPOLBAPEX1CA12

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
CN-106061943-B It can be used as the bicyclic pyrrole derivatives of the agonist of GPR120 詹森药业有限公司 2019-11-05 CN disclosed
CN-106061943-A Bicyclic pyrrole derivatives useful as agonists of GPR120 詹森药业有限公司 2016-10-26 CN disclosed