SCHEMBL10917652

SCHEMBL10917652

CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)CCC2COC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.48
ADRB2 P07550 1/20 0.48
KMT2A Q03164 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.38
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10942178 0.89 ADRB2 (0.50) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL10919435 0.89 ADRB2 (0.49) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL8038099 0.85 LMNA (0.53) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL6079370 0.83 CNR1 (0.56) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL4270348 0.83 CNR1 (0.56) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL2844967 0.78 ADRB2 (0.68) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL29492858 0.78 ADRB2 (0.68) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL10433195 0.77 STAT3 (0.50) STAT3ADRB2KMT2ACNR1CNR2
SCHEMBL9656023 0.77 LMNA (0.53) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL25433200 0.76 STAT3 (0.55) STAT3ADRB2KMT2AKDM4EHPGD

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-0101829-B1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1986-12-30 EP disclosed
US-4535161-A ANTIBIOTIC, BACTERICIDE DAIICHI SEIYAKU CO., LTD. (JP) 1985-08-13 US disclosed
EP-0101829-A2 Tricyclic compounds, a process for their production and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1984-03-07 EP disclosed