SCHEMBL8908536

SCHEMBL8908536

O=C(O)COc1cccc(-c2c3nc(c(-c4cccc(OCC(=O)O)c4)c4ccc([nH]4)c(-c4cccc(OCC(=O)O)c4)c4nc(c(-c5cccc(OCC(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Fe]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 4/20 0.52
▸ TOP1 P11387 1/20 0.48
▸ CYCS P99999 4/20 0.47
▸ LMNA P02545 1/20 0.45
▸ DHFR P00374 3/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ P2RY12 Q9H244 1/20 0.44
▸ FABP5 Q01469 1/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 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
SCHEMBL7614765 0.99 FABP4 (0.53) FABP4TOP1CYCSLMNADHFR
SCHEMBL8909617 0.98 FABP4 (0.52) FABP4TOP1CYCSLMNADHFR
SCHEMBL8909527 0.88 TOP1 (0.45) FABP4TOP1CYCS
SCHEMBL8909582 0.87 TOP1 (0.44) FABP4TOP1CYCS
SCHEMBL8908515 0.87 TOP1 (0.44) FABP4TOP1CYCS
Hydrochloric Acid SCHEMBL8865595 0.86 TOP1 (0.43) FABP4TOP1CYCS
Hydrochloric Acid SCHEMBL8865553 0.86 TOP1 (0.43) FABP4TOP1CYCS
SCHEMBL10730297 0.85 MEN1 (0.57) TOP1CYCSMEN1KMT2APTPN7
SCHEMBL29558419 0.83 TOP1 (0.61) TOP1CYCSMEN1KMT2APDE2A
SCHEMBL3794157 0.83 TOP1 (0.61) TOP1CYCSMEN1KMT2APDE2A

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
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 claimed
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