SCHEMBL8816019

SCHEMBL8816019

O=C(O)C1c2cccc(Cl)c2Oc2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AHR P35869 2/20 0.37
TSHR P16473 2/20 0.37
AKR1B1 P15121 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NOTUM Q6P988 2/20 0.36
PPIA P62937 1/20 0.36
PTGS2 P35354 1/20 0.35
TTR P02766 2/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5779757 0.89 ATM (0.47) AHRTSHRALDH1A1KMT2AATM
SCHEMBL5779754 0.89 ATM (0.47) AHRTSHRALDH1A1KMT2AATM
SCHEMBL8815600 0.78 PTPN7 (0.38) PPIATTRATM
SCHEMBL8816538 0.78 HTT (0.43) TSHRALDH1A1ATM
SCHEMBL4298019 0.75 ATM (0.56) AHRTSHRALDH1A1KMT2AATM
SCHEMBL8813829 0.74 MEN1 (0.38) AHRTSHRAKR1B1NOTUMPTGS2
SCHEMBL20480237 0.71 PSMB8 (0.47) CRHBPCRHR2NOTUMPTGS2
SCHEMBL7052203 0.71 HDAC3 (0.44) CRHBPCRHR2ALDH1A1PPIA
SCHEMBL8814780 0.70 GRM1 (0.43) CRHBPCRHR2TSHRAKR1B1ALDH1A1
SCHEMBL10355854 0.70 EDNRA (0.50) TSHRALDH1A1KMT2AATM

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
WO-1997006178-A1 PYRIMIDINE NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-02-20 WO disclosed