SCHEMBL20613620

SCHEMBL20613620

Bc1c(O)cc2c(C)ccc(O)c2c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9229878 0.71 ESR1 (0.46) OPRK1KMT2ATDP1TP53HTT
SCHEMBL25807194 0.71 TP53 (0.40) OPRK1KMT2ATDP1TP53HTT
SCHEMBL26431811 0.70 TSHR (0.46) OPRK1KMT2ATDP1TP53HTT
SCHEMBL20146604 0.69 TRPA1 (0.46) OPRK1KMT2ATDP1TP53HTT
SCHEMBL15586477 0.67 PIM1 (0.50) OPRK1KMT2ATDP1TP53HTT
SCHEMBL26437113 0.66 CYP1A2 (0.55) OPRK1KMT2ATDP1TP53HTT
SCHEMBL21066518 0.66 ESR2 (0.46) OPRK1KMT2ATDP1HTTSLC6A2
SCHEMBL29771832 0.66 ESR2 (0.46) OPRK1KMT2ATDP1HTTSLC6A2
SCHEMBL21066555 0.66 HPGD (0.65) OPRK1KMT2ATDP1HTTSLC6A2
SCHEMBL29771822 0.66 HPGD (0.65) OPRK1KMT2ATDP1HTTSLC6A2

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
EP-3421549-A1 COLORING COMPOSITION, INKJET RECORDING INK, INKJET RECORDING METHOD, AND INKJET PRINTER CARTRIDGE FUJIFILM Corporation (JP) 2019-01-02 — — EP disclosed
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