SCHEMBL28045217

SCHEMBL28045217

NC(=O)c1ccc(C2CCC(=CC(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
ESR2 Q92731 3/20 0.45
PARP10 Q53GL7 7/20 0.40
F2 P00734 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
PARP14 Q460N5 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL28045102 0.82 ESR2 (0.53) CYP2C9ESR2PARP10F2HDAC8
SCHEMBL2257887 0.82 ESR2 (0.62) CYP2C9ESR2CYP3A4
SCHEMBL2762400 0.79 CYP2C9 (0.69) CYP2C9ESR2PARP10HDAC8HDAC6
SCHEMBL247920 0.78 ESR2 (0.61) CYP2C9ESR2PARP10F2HDAC8
Hydrochloric Acid SCHEMBL28200483 0.77 CYP2C9 (0.67) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL17963141 0.76 HDAC8 (0.61) CYP2C9PARP10HDAC8HDAC6HDAC1
SCHEMBL3547925 0.75 ESR2 (0.39) ESR2KDM4EPOLBMAPTTSHR
SCHEMBL3544910 0.75 ESR2 (0.39) ESR2KDM4EPOLBMAPTTSHR
SCHEMBL3547927 0.75 ESR2 (0.39) ESR2KDM4EPOLBMAPTTSHR
SCHEMBL3544911 0.75 ESR2 (0.39) ESR2KDM4EPOLBMAPTTSHR

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-102659630-B A kind of hydroxamic acid compound and its production and use CHENGDU DIAO JIUHONG PHARMACEUTICAL FACTORY (CN) 2016-01-06 CN disclosed