SCHEMBL7769088

SCHEMBL7769088

O=C(O)OC1=Cc2c(Cl)cccc2Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
GPR84 Q9NQS5 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
P2RX4 Q99571 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.33
P2RY6 Q15077 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 2/20 0.31
PTK2B Q14289 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9055313 0.79 GPR84 (0.56) GPR84KDM4EMAPK1ATMP2RX4
SCHEMBL4043114 0.78 LMNA (0.46) AHRKDM4EMAPK1ATMP2RX4
SCHEMBL7770745 0.71 LMNA (0.46) AHRGPR84KDM4EP2RX4KMT2A
SCHEMBL7765648 0.70 AHR (0.41) AHRKDM4EMAPK1ATMP2RX4
SCHEMBL7769094 0.67 AHR (0.41) AHRKDM4EMAPK1ATMP2RY6
SCHEMBL1637925 0.63 AKR1C3 (0.47) ALDH1A1KMT2AMEN1NPSR1HTT
SCHEMBL1128324 0.62 AHR (0.50) AHRKDM4EMAPK1ATMALDH1A1
SCHEMBL56864 0.61 PTK2B (0.50) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL9682799 0.61 TSHR (0.44) KDM4EMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3277352 0.61 ALDH1A1 (0.39) KDM4EMAPK1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed