SCHEMBL7724707

SCHEMBL7724707

O=C(O)[C@@H]1COC(c2ccccc2OCc2ccccc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MCL1 Q07820 1/20 0.45
PTGER1 P34995 8/20 0.45
PTGER4 P35408 5/20 0.45
PTGER3 P43115 5/20 0.45
PTGER2 P43116 5/20 0.45
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PSMD14 O00487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
BRD4 O60885 3/20 0.42

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
SCHEMBL7723380 1.00 RXRA (0.50) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7730068 0.89 RXRA (0.47) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7723395 0.85 RXRA (0.44) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7723397 0.85 RXRA (0.44) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7093065 0.77 HTR2B (0.42) ALDH1A1HPGD
SCHEMBL7724475 0.77 HTR2B (0.42) ALDH1A1HPGD
SCHEMBL4556877 0.76 RXRA (0.51) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7724616 0.75 RXRA (0.50) RXRARXRBRXRGMCL1PTGER1
SCHEMBL15942243 0.74 RXRA (0.49) RXRARXRBRXRGMCL1PTGER1
SCHEMBL15942310 0.74 RXRA (0.49) RXRARXRBRXRGMCL1PTGER1

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
US-6403623-B1 ADMINISTERING 2-(2-SUBSTITUTED-PHENYL)-2-OXAZOLINES AND RELATED 5-MEMBERED HETEROCYCLES UNUVERSITY OF NOTRE DAME DU LAC 2002-06-11 US disclosed
US-6310058-B1 N-HYDROXYAZEPIN-2-ONES SUBSTITUTED AT 3 POSITION WITH A GROUP CONTAINING A 2-PHENYLOXAZOLE OR 2-PHENYLOXAZOLINE GROUP FOR TREATING TUBERCULOSIS UNIVERSITY OF NOTRE DAME DU LAC 2001-10-30 US disclosed