SCHEMBL18138448

SCHEMBL18138448

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MCL1 Q07820 1/20 0.43
PTGS2 P35354 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 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
SCHEMBL18138403 0.87 PKM (0.49) PKMMCL1PTGS2HTTSMN1; SMN2
SCHEMBL8073542 0.85 PKM (0.59) PKMMCL1PTGS2HTTLMNA
SCHEMBL13778225 0.85 PKM (0.55) PKMMCL1PTGS2HTTLMNA
SCHEMBL4222267 0.85 PKM (0.55) PKMMCL1PTGS2HTTLMNA
Bromide SCHEMBL4217783 0.84 PKM (0.54) PKMMCL1PTGS2HTTLMNA
SCHEMBL9681717 0.83 PKM (0.52) PKMMCL1PTGS2HTTLMNA
SCHEMBL4223255 0.83 PKM (0.56) PKMMCL1PTGS2HTTLMNA
SCHEMBL9348700 0.80 PKM (0.65) PKMMCL1PTGS2HTTLMNA
SCHEMBL18138425 0.80 TDP1 (0.45) PKMMCL1HTTLMNASMN1; SMN2
SCHEMBL13778148 0.76 PKM (0.49) PKMMCL1PTGS2HTTLMNA

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