SCHEMBL28289130

SCHEMBL28289130

CC(C)(C)C(=O)c1c[nH]c2ccc(C(C)(C)C)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.54
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR1D P28221 3/20 0.47
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX12 P18054 1/20 0.45
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL28287753 0.89 MEN1 (0.59) CFTRKDM4EHSD17B10GABRA1GABRB2
SCHEMBL2054607 0.88 KDM4E (0.62) CFTRKDM4EHSD17B10HTR1DGABRA1
SCHEMBL28287817 0.85 KDM4E (0.71) KDM4EHSD17B10GABRA1GABRB2MEN1
SCHEMBL28287772 0.84 F7 (0.59) KDM4EHSD17B10
SCHEMBL28289143 0.84 KDM4E (0.69) KDM4EHSD17B10GABRA1GABRB2MEN1
SCHEMBL28289148 0.84 GABRA1 (0.62) KDM4EHSD17B10GABRA1GABRB2GABRB1
SCHEMBL28289156 0.83 HSD17B10 (0.56) CFTRKDM4EHSD17B10HTR1DGABRA1
SCHEMBL28287756 0.82 CFTR (0.49) CFTRKDM4EHSD17B10HTR1DGABRA1
SCHEMBL28287765 0.82 ALDH1A1 (0.56) CFTRKDM4EHSD17B10GABRA1GABRB2
SCHEMBL28872023 0.82 KDM4E (0.61) KDM4EHSD17B10MEN1ALDH1A1HPGD

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-109651247-A A kind of green high-efficient synthetic method of carbostyril compound 云南民族大学 2019-04-19 CN disclosed