SCHEMBL20323319

SCHEMBL20323319

Cc1ncc(COP(=O)(O)O)c(N)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ ACP1 P24666 1/20 0.66
▸ PDE4A P27815 1/20 0.66
▸ P2RX1 P51575 1/20 0.66
▸ P2RX2 Q9UBL9 1/20 0.66
▸ PNPO Q9NVS9 1/20 0.64
▸ SGPL1 O95470 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AOX1 Q06278 1/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ PDXK O00764 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12727925 0.84 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL30413789 0.84 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxamine Phosphate Anhydrous SCHEMBL29619879 0.82 ESR1 (0.63) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxamine Phosphate Anhydrous SCHEMBL43832 0.82 ESR1 (0.63) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL10906026 0.82 ESR1 (0.66) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL15387271 0.82 PNPO (0.68) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxamine Phosphate Anhydrous SCHEMBL10942609 0.81 ESR1 (0.61) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL43880 0.81 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL13176882 0.81 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL29384180 0.81 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1

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-2018115113-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PHOTOCROSSLINKABLE POLYVINYL ALCOHOL L'OREAL (FR) 2018-06-28 — — WO disclosed
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