SCHEMBL29000236

SCHEMBL29000236

CO[Si](CCCNC(N)=O)(OC)OC.CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 3/20 0.35
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL344453 0.95 PDCD1LG2 (0.36) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL49082 0.94 MTNR1A (0.37) PAOXMTNR1AMTNR1BEPHX1PDCD1LG2
SCHEMBL3640242 0.92 MTNR1A (0.36) PAOXMTNR1AMTNR1BEPHX1TSHR
Methyl Alcohol SCHEMBL28185873 0.92 MTNR1A (0.36) PAOXMTNR1AMTNR1BEPHX1PDCD1LG2
Charcoal, Activated SCHEMBL31567652 0.92 MTNR1A (0.36) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL679993 0.89 EPHX1 (0.38) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL3909914 0.87 EPHX1 (0.41) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL3911458 0.87 EPHX1 (0.41) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL3921249 0.87 EPHX1 (0.41) PAOXMAOAMAOBMTNR1AMTNR1B
SCHEMBL1142541 0.87 EPHX1 (0.41) PAOXMAOAMAOBMTNR1AMTNR1B

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-116096493-A Method for manufacturing bundled capillary lining 赛普瑞蒂夫公司 2023-05-09 CN disclosed