SCHEMBL28154683

SCHEMBL28154683

COc1cc([N+](=O)[O-])c(CCCO)c([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHEK1 O14757 3/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL8986936 0.86 CHEK1 (0.43) HTTMCL1PKMALDH1A1CHEK1
SCHEMBL19548283 0.86 HTT (0.50) HTTMCL1PKMALDH1A1TSHR
SCHEMBL19396235 0.81 HTT (0.51) HTTMCL1PKMALDH1A1TSHR
SCHEMBL25851948 0.77 PKM (0.47) HTTMCL1PKMALDH1A1TSHR
SCHEMBL9054391 0.77 ALDH1A1 (0.43) HTTMCL1PKMALDH1A1TDP1
SCHEMBL9348560 0.77 PKM (0.48) HTTMCL1PKMALDH1A1TDP1
SCHEMBL11572355 0.76 HTT (0.57) HTTMCL1PKMALDH1A1TSHR
SCHEMBL15264785 0.76 RAB9A (0.52) HTTALDH1A1TDP1CHEK1CYP3A4
SCHEMBL10664652 0.75 TPMT (0.44) PKMALDH1A1TSHRTDP1CHEK1
SCHEMBL8986935 0.74 CYP3A4 (0.45) HTTMCL1PKMALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108796-B Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2019-10-01 CN disclosed
CN-107108796-A Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2017-08-29 CN disclosed