SCHEMBL17083602

SCHEMBL17083602

O=CC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 6/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 4/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL4367473 0.91 IDO1 (0.47) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL9504993 0.85 LCK (0.42) MAPTKDM4EHPGDALOX15CYP3A4
SCHEMBL1420183 0.84 LTA4H (0.53) ESR2MAPTKDM4EALDH1A1ALOX15
SCHEMBL6439294 0.81 MAPT (0.36) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL2827168 0.80 TYR (0.43) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL14010204 0.79 ESR1 (0.46) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL8768787 0.78 GABBR2 (0.42) MAPTALDH1A1ALOX15CYP3A4LMNA
SCHEMBL15018764 0.77 ESR1 (0.44) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL30777839 0.77 MAPT (0.48) ESR1ESR2PDCD1CD274ALDH5A1
SCHEMBL21834675 0.75 ESR1 (0.44) ESR1ESR2PDCD1CD274ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944749-B2 Polycarbonates SWIMC, LLC (US) 2018-04-17 US disclosed
US-9944749-B2 Polycarbonates SWIMC, LLC (US) 2018-04-17 US disclosed
US-20150259471-A1 POLYCARBONATES SWIMC LLC 2015-09-17 US disclosed
US-20150259471-A1 POLYCARBONATES SWIMC LLC 2015-09-17 US disclosed