SCHEMBL28111866

SCHEMBL28111866

CCC(C)C(=O)Oc1ccc(O)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B2 P37059 1/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL28111862 0.79 KMT2A (0.38) KMT2AL3MBTL1KDM4EATMPOLB
SCHEMBL9689656 0.78 FFAR1 (0.38) MAPT
SCHEMBL8738354 0.77 ESR1 (0.44) KMT2AL3MBTL1POLBALOX15LMNA
SCHEMBL28784902 0.76 KMT2A (0.36) KMT2AL3MBTL1KDM4EATMPOLB
SCHEMBL27820633 0.76 KDM4E (0.37) KMT2AL3MBTL1KDM4EATMPOLB
SCHEMBL27721743 0.76 KMT2A (0.44) KMT2AL3MBTL1KDM4EPOLBCA12
SCHEMBL15548526 0.74 KMT2A (0.49) KMT2AL3MBTL1KDM4EATMPOLB
SCHEMBL27685965 0.74 ALDH1A1 (0.46) KMT2AL3MBTL1KDM4EPOLBLMNA
SCHEMBL15447053 0.73 LMNA (0.45) KMT2AL3MBTL1KDM4EATMPOLB
SCHEMBL25797751 0.73 ALOX15 (0.50) KMT2AKDM4EATMALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061943-A Bicyclic pyrrole derivatives useful as agonists of GPR120 詹森药业有限公司 2016-10-26 CN disclosed