SCHEMBL19944683

SCHEMBL19944683

COC(COc1ccc(Oc2ccccc2)cc1)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.57
▸ TSHR P16473 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ PLA2G2A P14555 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SCN4A P35499 2/20 0.44

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
SCHEMBL17171595 0.92 LMNA (0.57) LTA4HTSHRCYP2C9LMNAMAOA
SCHEMBL17034727 0.86 CYP2C9 (0.55) TSHRCYP2C9LMNAMAOAPTGS1
SCHEMBL7816346 0.85 LTA4H (0.57) LTA4HTSHRLMNAPLA2G2APPARG
SCHEMBL23763747 0.83 MAOA (0.49) TSHRCYP2C9LMNAMAOAPTGS1
SCHEMBL14587067 0.82 LMNA (0.52) LTA4HTSHRCYP2C9LMNAMAOA
SCHEMBL3081619 0.81 LMNA (0.50) TSHRCYP2C9LMNAMAOAPTGS1
SCHEMBL7387280 0.81 LMNA (0.50) LTA4HTSHRCYP2C9LMNAPLA2G2A
SCHEMBL3081620 0.81 TSHR (0.73) TSHRCYP2C9LMNAMAOAPTGS1
SCHEMBL5520887 0.81 LMNA (0.50) TSHRCYP2C9LMNAMAOAPTGS1
SCHEMBL11664091 0.81 LMNA (0.50) LTA4HTSHRCYP2C9LMNAMAOA

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
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 — — WO disclosed
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