SCHEMBL18307161

SCHEMBL18307161

COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc(O)c3c(=O)c2O[C@@H]2OC(COC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)[C@@H](O)C(O)[C@@H]2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 2/20 0.62
▸ SYNJ2 O15056 1/20 0.62
▸ AKR1B1 P15121 1/20 0.60
▸ CYP3A4 P08684 3/20 0.58
▸ CA12 O43570 2/20 0.58
▸ CA4 P22748 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ TYR P14679 1/20 0.58
▸ EPHX2 P34913 3/20 0.56
▸ CA2 P00918 1/20 0.56
▸ ALPL P05186 1/20 0.55
▸ ALPI P09923 1/20 0.55
▸ ALPG P10696 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ AMY2A P04746 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM1A O60341 1/20 0.53

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
SCHEMBL18307190 1.00 P4HB (0.62) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL27062477 1.00 P4HB (0.62) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL27062096 1.00 P4HB (0.62) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL18307158 0.96 AKR1B1 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL18307172 0.96 AKR1B1 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL27062412 0.96 AKR1B1 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL27061237 0.96 AKR1B1 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL18307191 0.96 P4HB (0.67) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL18307159 0.95 CA12 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12
SCHEMBL18307200 0.95 CA12 (0.65) P4HBSYNJ2AKR1B1CYP3A4CA12

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
WO-2016198485-A1 UV-B ABSORBING COMPOUNDS ISOLATED FROM PLANTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-12-15 — — WO disclosed
EP-3103806-A1 UV-B ABSORBING COMPOUNDS ISOLATED FROM PLANTS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-12-14 — — EP disclosed
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