SCHEMBL9749703

SCHEMBL9749703

O=C(O)CCNC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.45
LMNA P02545 3/20 0.41
PLA2G2A P14555 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PRMT1 Q99873 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.34
BBOX1 O75936 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10438919 0.85 LMNA (0.38) ECE1LMNAKDM4EEGLN1TSHR
SCHEMBL11738591 0.83 PRMT1 (0.61) LMNAPLA2G2APRMT1TSHRALDH1A1
SCHEMBL7770037 0.79 LMNA (0.40) ECE1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL2861129 0.76 POLB (0.47) ECE1LMNAPLA2G2AKDM4EHTT
SCHEMBL1681750 0.76 ALDH1A1 (0.62) ECE1LMNAPLA2G2AKDM4EHTT
SCHEMBL4280908 0.75 LMNA (0.43) LMNAKDM4EHTTTSHRALDH1A1
SCHEMBL13660344 0.75 MEN1 (0.58) LMNAKDM4EPRMT1ALDH1A1POLB
SCHEMBL13660337 0.75 MEN1 (0.58) LMNAKDM4EPRMT1ALDH1A1POLB
SCHEMBL11685139 0.75 EGLN1 (0.39) ECE1LMNAPLA2G2AKDM4EHTT
SCHEMBL13660345 0.75 MEN1 (0.58) LMNAKDM4EPRMT1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 US disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 EP disclosed