SCHEMBL28285153

SCHEMBL28285153

C=CCOC(=O)C(N)(N)CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HPGD P15428 1/20 0.38
FDPS P14324 2/20 0.35
MAPT P10636 3/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL9236229 0.89 TSHR (0.43) TSHRHPGDFDPSMAPTCACNA1B
SCHEMBL28123171 0.82 TSHR (0.51) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL11650886 0.81 TSHR (0.50) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL27726133 0.80 MEN1 (0.46) TSHRFDPSMAPTATMALDH1A1
SCHEMBL28119025 0.79 TSHR (0.49) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL19105318 0.79 TSHR (0.49) TSHRHPGDMAPTCYP3A4ATM
SCHEMBL28004284 0.79 TSHR (0.49) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL28554033 0.77 TSHR (0.54) TSHRHPGDMAPTCYP3A4ATM
SCHEMBL28565898 0.77 TSHR (0.47) TSHRHPGDMAPTATMALDH1A1
SCHEMBL28562830 0.77 TSHR (0.46) TSHRHPGDMAPTCYP3A4ATM

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-109467705-A A kind of amino acidic group helix poly silane infrared absorbing material and preparation method thereof 东南大学 2019-03-15 CN disclosed