SCHEMBL21591578

SCHEMBL21591578

O=c1c(CO)coc2cc(F)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.63
▸ CYP11B1 P15538 5/20 0.62
▸ CYP11B2 P19099 5/20 0.62
▸ CYP19A1 P11511 4/20 0.62
▸ CYP17A1 P05093 2/20 0.62
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ CHRM1 P11229 1/20 0.49

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
SCHEMBL11618900 0.87 MAOB (0.63) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL914068 0.86 CYP11B1 (0.49) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL21591553 0.84 CYP11B1 (0.62) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL21591575 0.82 MAOB (0.65) MAOBCYP19A1KDM4ENPC1ALDH1A1
SCHEMBL20592019 0.81 CYP11B1 (0.55) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL11620426 0.81 MAOB (0.63) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6557580 0.78 MAOB (1.00) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL28990297 0.78 CYP11B1 (0.54) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL30715535 0.78 CYP11B1 (0.54) MAOBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL11618513 0.77 CYP11B1 (0.64) MAOBCYP11B1CYP11B2CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807264-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-04-21 — — EP disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 — — WO disclosed
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