SCHEMBL22072065

SCHEMBL22072065

Cc1cc2nc(-c3nnnn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)COC(=O)CC(=O)O)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ USP2 O75604 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HAT1 O14929 3/20 0.42
▸ RBBP7 Q16576 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ BRCA1 P38398 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TST Q16762 2/20 0.42
▸ MAPT P10636 2/20 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
SCHEMBL22072068 0.92 ESR1 (0.43) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071711 0.88 ESR1 (0.45) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071716 0.85 ESR1 (0.41) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071738 0.84 MEN1 (0.58) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22072053 0.83 ESR1 (0.63) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071712 0.83 MEN1 (0.48) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22072063 0.83 MEN1 (0.48) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071758 0.81 ESR1 (0.44) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071713 0.80 ESR1 (0.40) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL4637707 0.78 ESR1 (0.70) ESR1NR3C1ADRB2HTR2CADRA1A

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-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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