SCHEMBL7489487

SCHEMBL7489487

C=C(C(=O)O)c1cc(OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
FTO Q9C0B1 1/20 0.50
JUN P05412 1/20 0.49
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 1/20 0.47
TPMT P51580 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8728260 0.85 TTR (0.60) TTRFTOJUNMAPTGAA
SCHEMBL7371831 0.85 TTR (0.60) TTRFTOJUNMAPTGAA
SCHEMBL31447584 0.85 CA12 (0.66) TTRFTOJUNMAPTSMN1; SMN2
SCHEMBL3583434 0.85 CA12 (0.66) TTRFTOJUNMAPTSMN1; SMN2
SCHEMBL7718023 0.83 PKM (0.66) MAPTGAALMNAHTTSMN1; SMN2
SCHEMBL5598228 0.82 LMNA (0.66) TTRFTOJUNMAPTGAA
SCHEMBL31059025 0.82 LMNA (0.66) TTRFTOJUNMAPTGAA
SCHEMBL31059024 0.82 LMNA (0.66) TTRFTOJUNMAPTGAA
SCHEMBL750055 0.81 TTR (0.61) TTRFTOJUNMAPTSMN1; SMN2
SCHEMBL15018739 0.81 TTR (0.61) TTRFTOJUNMAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed