SCHEMBL17460979

SCHEMBL17460979

O=C(O[C@H]1CC[C@H](c2ccc(O)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.50
SERPINE1 P05121 1/20 0.49
DEGS1 O15121 1/20 0.47
ESR1 P03372 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
MAPT P10636 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
STS P08842 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9895375 1.00 ESR2 (0.50) ESR2SERPINE1DEGS1ESR1CYP3A4
SCHEMBL777809 0.89 SERPINE1 (0.58) ESR2SERPINE1ESR1SCN1ASCN2A
SCHEMBL30540804 0.89 SERPINE1 (0.58) ESR2SERPINE1ESR1SCN1ASCN2A
SCHEMBL9421310 0.89 SERPINE1 (0.58) ESR2SERPINE1ESR1SCN1ASCN2A
SCHEMBL19020508 0.85 MAPT (0.48) ESR2ESR1CYP2C9MAPTCA1
SCHEMBL18121566 0.85 MAPT (0.48) ESR2ESR1CYP2C9MAPTCA1
SCHEMBL24449583 0.85 SCN1A (0.63) SERPINE1SCN1ASCN2ASCN3AMAPT
SCHEMBL11403407 0.85 ESR2 (0.51) ESR2SERPINE1SCN1ASCN2ASCN3A
SCHEMBL13833867 0.85 SERPINE1 (0.49) ESR2SERPINE1DEGS1ESR1CYP3A4
SCHEMBL9923602 0.85 SERPINE1 (0.46) ESR2SERPINE1DEGS1ESR1CYP3A4

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-2019198626-A1 CYANIC ACID ESTER COMPOUND, RESIN COMPOSITION, CURED OBJECT, SINGLE-LAYER RESIN SHEET, LAYERED RESIN SHEET, PREPREG, METAL-FOIL-CLAD LAMINATE, PRINTED WIRING BOARD, SEALING MATERIAL, FIBER-REINFORCED COMPOSITE MATERIAL, AND ADHESIVE 三菱瓦斯化学株式会社 2019-10-17 WO disclosed
US-9242948-B2 Diepoxy compound, process for producing same, and composition containing the diepoxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-26 US disclosed