SCHEMBL19261658

SCHEMBL19261658

CCCC(=O)c1c(C)c(Cl)c(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.56
▸ APP P05067 4/20 0.51
▸ BACE1 P56817 2/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ PTGES O14684 2/20 0.49
▸ ALOX5 P09917 2/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ IMPDH2 P12268 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.46
▸ TRPM7 Q96QT4 1/20 0.46
▸ DAGLA Q9Y4D2 1/20 0.46
▸ CTSL P07711 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
SCHEMBL19261676 0.93 DHODH (0.54) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15247914 0.88 DHODH (0.60) DHODHAPPBACE1PTPN1MAOB
SCHEMBL29572464 0.87 DHODH (0.71) DHODHAPPBACE1PTPN1MAOB
SCHEMBL2723348 0.87 PTGES (0.61) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15364116 0.85 DHODH (0.69) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15364121 0.85 DHODH (0.69) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15247881 0.82 APP (0.67) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15247901 0.81 PTPN1 (0.52) DHODHAPPBACE1PTPN1MAOB
SCHEMBL16926180 0.81 PTPN1 (0.52) DHODHAPPBACE1PTPN1MAOB
SCHEMBL15374666 0.78 DHODH (0.73) DHODHMAOB

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-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 — — US disclosed
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