SCHEMBL8181762

SCHEMBL8181762

C=C(C)C(=O)Oc1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.66
▸ TOP1 P11387 4/20 0.46
▸ CYCS P99999 4/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ TERT O14746 5/20 0.43
▸ ELANE P08246 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ADORA2B P29275 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
Zinc Ion SCHEMBL7258209 0.90 ENPP2 (0.52) ENPP2TOP1CYCSABCG2TERT
SCHEMBL30566372 0.90 TOP1 (0.53) ENPP2TOP1CYCSABCG2TERT
SCHEMBL30566373 0.90 TOP1 (0.53) ENPP2TOP1CYCSABCG2TERT
Magnesium SCHEMBL30566378 0.90 TOP1 (0.53) ENPP2TOP1CYCSABCG2TERT
SCHEMBL7262340 0.86 TOP1 (0.53) ENPP2TOP1CYCSABCG2TERT
SCHEMBL31019566 0.85 TOP1 (0.52) ENPP2TOP1CYCSABCG2TERT
Acetic Acid SCHEMBL7939601 0.82 ENPP2 (0.82) ENPP2TOP1CYCSABCG2TERT
SCHEMBL218702 0.82 ENPP2 (0.97) ENPP2TOP1CYCSABCG2TERT
SCHEMBL29368142 0.82 ENPP2 (0.97) ENPP2TOP1CYCSABCG2TERT
Water SCHEMBL23522817 0.81 ENPP2 (0.94) ENPP2TOP1CYCSABCG2TERT

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