SCHEMBL9320085

SCHEMBL9320085

CC(=O)Oc1ccc(/C=C/NC=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP3A4 P08684 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TTR P02766 1/20 0.60
TP53 P04637 1/20 0.60
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51

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
SCHEMBL9320094 1.00 MAPT (0.60) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL2451780 0.83 MAPT (0.81) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL11354408 0.83 MAPT (0.81) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL10941162 0.83 MAPT (0.81) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL9320689 0.83 MAPT (0.60) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL11716918 0.83 MAPT (0.60) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL9320697 0.83 MAPT (0.60) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL9322677 0.81 BCHE (0.51) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL9322687 0.81 BCHE (0.51) MAPTLMNAKMT2ACYP3A4KDM4E
SCHEMBL11720461 0.80 MAPT (0.57) MAPTLMNAKMT2ACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440887-B1 Improvement in the total synthesis of Erbstatin analogs ERBA CARLO SPA (IT) 1994-01-26 EP disclosed
US-5130472-A TOTAL SYNTHESIS OF ERBSTATIN ANALOGS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-14 US disclosed
EP-0440887-A1 Improvement in the total synthesis of Erbstatin analogs FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-14 EP disclosed