SCHEMBL29120972

SCHEMBL29120972

CCCCC#CO.CCCCC#CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HMGCR P04035 3/20 0.41
PTPN7 P35236 5/20 0.39
ALDH1A1 P00352 3/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL131293 1.00
SCHEMBL28814074 0.97
Formaldehyde SCHEMBL28234704 0.92
SCHEMBL131147 0.91
SCHEMBL10964069 0.89 HMGCR (0.36) TSHRHMGCRPTPN7ALDH1A1RECQL
SCHEMBL130583 0.88 PTPN7 (0.52) TSHRHMGCRPTPN7ALDH1A1RECQL
SCHEMBL448226 0.88 PTPN7 (0.52) TSHRHMGCRPTPN7ALDH1A1RECQL
SCHEMBL128390 0.88
SCHEMBL126745 0.88 PTPN7 (0.52) TSHRHMGCRPTPN7ALDH1A1RECQL
SCHEMBL9361038 0.88 PTPN7 (0.52) TSHRHMGCRPTPN7ALDH1A1RECQL

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-116746574-A Pesticide auxiliary agent, preparation method and application thereof, pesticide composition comprising pesticide auxiliary agent and application of pesticide auxiliary agent 广西田园生化股份有限公司 2023-09-15 CN disclosed