SCHEMBL8318302

SCHEMBL8318302

O=C(O)c1ccc(C/C=C/c2cccnc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
SRD5A2 P31213 1/20 0.45
PPIA P62937 1/20 0.45
KMT2A Q03164 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
PSMD14 O00487 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CRHBP P24387 1/20 0.44
PPARG P37231 1/20 0.44
CRHR2 Q13324 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXRA P19793 5/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 3/20 0.43

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
SCHEMBL8318304 1.00 NR4A1 (0.48) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL9057736 0.85 NR4A1 (0.50) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL8676412 0.82 PTGER4 (0.47) PTGER4PTGER2KDM4EMAPTALDH1A1
SCHEMBL8323855 0.82 PPIA (0.54) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL8323857 0.82 PPIA (0.54) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL8676414 0.79 KMT2A (0.48) PTGER4PTGER2PPIAKMT2AMAPT
SCHEMBL13443256 0.76 KDM4E (0.38) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL8322839 0.75 PTGER4 (0.57) NR4A1NR4A2NR4A3PTGER4PTGER2
SCHEMBL8326381 0.74 HTT (0.49) PPIAKMT2AHPGDKDM4EMAPT
SCHEMBL8325277 0.74 HTT (0.49) PPIAKMT2AHPGDKDM4EMAPT

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed