SCHEMBL18138403

SCHEMBL18138403

COc1cc(C[O])c(OC)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
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

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
SCHEMBL18138448 0.87 PKM (0.56) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL9348700 0.80 PKM (0.65) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL9694935 0.80 PKM (0.54) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL4043187 0.77 ALDH1A1 (0.57) ALDH1A1TDP1HTTL3MBTL1CYP2D6
SCHEMBL18138425 0.77 TDP1 (0.45) PKMMCL1ALDH1A1TDP1HTT
SCHEMBL8073542 0.75 PKM (0.59) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL4222267 0.75 PKM (0.55) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL13778225 0.75 PKM (0.55) PKMMCL1ALDH1A1TDP1TSHR
Bromide SCHEMBL4217783 0.74 PKM (0.54) PKMMCL1ALDH1A1TDP1TSHR
SCHEMBL11572355 0.74 HTT (0.57) PKMMCL1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed