SCHEMBL9320697

SCHEMBL9320697

CC(=O)Oc1cc(C=CNC=O)cc(OC(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP3A4 P08684 2/20 0.60
TTR P02766 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP19A1 P11511 1/20 0.55
EGFR P00533 2/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41

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
SCHEMBL9320689 1.00 MAPT (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL9322687 0.84 BCHE (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL9322677 0.84 BCHE (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL715254 0.83 LMNA (0.81) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL715253 0.83 LMNA (0.81) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL9320094 0.83 MAPT (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL9320085 0.83 MAPT (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL9320106 0.78 CYP1A1 (0.61) MAPTMEN1KMT2AKDM4ETTR
SCHEMBL9320099 0.78 CYP1A1 (0.61) MAPTMEN1KMT2AKDM4ETTR
SCHEMBL5317242 0.77 LMNA (0.61) MAPTLMNAMEN1KMT2AKDM4E

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