Sugi Predict

Sugi Predict / Compounds / SCHEMBL8181798

SCHEMBL8181798

SCHEMBL8181798

C=C(C)C(=O)Oc1ccc(C2=C3C=CC(=N3)C(c3ccc(S(=O)(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(S(=O)(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(S(=O)(=O)O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.39
▸ PTGS2 P35354 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL7262349 0.85 ELANE (0.51) ELANEPTGS2KMT2AATMPOLB
SCHEMBL1436154 0.81 ELANE (0.54) ELANEPTGS2KMT2AATMPOLB
SCHEMBL267948 0.81 LMNA (0.41) POLBMAPT
Water SCHEMBL23522818 0.79 LMNA (0.39) POLBMAPT
SCHEMBL20379960 0.79 LMNA (0.39) POLBMAPT
SCHEMBL15004685 0.79 LMNA (0.39) POLBMAPT
Water SCHEMBL9870236 0.79 LMNA (0.39) POLBMAPT
SCHEMBL17768421 0.79 LMNA (0.39) POLBMAPT
Water SCHEMBL14977045 0.78 LMNA (0.38) POLB
SCHEMBL10523969 0.77 HSD17B10 (0.47) ELANEPTGS2KMT2APOLBMAPT

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
US-6107480-A 5-(HYDROXYLATEDPHENYL) PORPHYRIN DERIVATIVES WHICH MAY BE COVALENTLY BONDED TO SPECIFIED POLYMERS VIA THE HYDROXYLATED PHENYL GROUP; USE AS PHOTOSENSITIZERS FOR THE CATALYTIC FORMATION OF SINGLET OXYGEN DLR, DEUTSCHE ZENTRUM FUR LUFT UND RAUMFAHRT E.V. (DE) 2000-08-22 — — US disclosed
Send feedback