SCHEMBL8908198

SCHEMBL8908198

COC(=O)C(O)COc1cccc(C2=C3C=CC(=N3)C(c3cccc(OCC(O)C(=O)OC)c3)=C3C=CC(=N3)C(c3cccc(OCC(O)C(=O)OC)c3)=C3C=CC(=N3)C(c3cccc(OCC(O)C(=O)OC)c3)=C3C=CC2=N3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.37
▸ MTNR1B P49286 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL7614855 0.77 LMNA (0.49) KDM4EMAPK1ALDH1A1LMNACYP1A2
SCHEMBL8908445 0.75 L3MBTL1 (0.53) MTNR1AMTNR1BUSP2ALDH1A1LMNA
SCHEMBL433808 0.74 DYRK1A (0.49) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL8908193 0.73 CYCS (0.48) MTNR1AMTNR1BDHODH
SCHEMBL8434103 0.71 LMNA (0.56) MTNR1AMTNR1BLMNACYP2D6MAPT
SCHEMBL8907747 0.71 SLC7A5 (0.44) KDM4ETSHRMAPK1HSP90AB1RXRA
SCHEMBL8909566 0.70 NOS3 (0.40) KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL6851875 0.70 PLA2G4B (0.44) TSHRCYP1A2CYP2C19DHODHTP53
SCHEMBL6847323 0.70 PLA2G4B (0.44) TSHRCYP1A2CYP2C19DHODHTP53
SCHEMBL19718155 0.70 PPARA (0.47) —

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-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
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