SCHEMBL11038829

SCHEMBL11038829

CCOc1cc(C)ccc1N1NC(OC)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
MDM2 Q00987 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MDM4 O15151 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11036136 0.90 KDM4E (0.43) TSHRMEN1KMT2APOLBKDM4E
SCHEMBL10826621 0.87 ACHE (0.39) TSHRKMT2APOLBKDM4ELMNA
SCHEMBL2235108 0.72 ALDH1A1 (0.38) KMT2AKDM4EL3MBTL1RAB9ANPSR1
SCHEMBL11620524 0.66 GSK3A (0.38)
SCHEMBL11020550 0.65 ABHD16A (0.45) TSHRKDM4ELMNAHTTL3MBTL1
SCHEMBL16440175 0.64 ALDH1A1 (0.56) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL11556229 0.64 ELANE (0.38) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL11620916 0.64 RAD51 (0.36) MEN1KMT2ANPSR1MAPK1
SCHEMBL7923905 0.63 PSEN1 (0.49) KDM4E
SCHEMBL13419199 0.62 POLB (0.52) TSHRMEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143440-A2 Insecticidal composition MITSUBISHI KASEI CORPORATION (JP) 1985-06-05 EP claimed