SCHEMBL21268098

SCHEMBL21268098

O=C(O)Cc1ccccc1OOCCOC(=O)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.43
▸ CHRM1 P11229 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ CFD P00746 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ TPSB2 P20231 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ CAMK2A Q9UQM7 2/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL30357750 0.87 MAPT (0.36) CXCL8L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL15534637 0.86 TBXAS1 (0.46) CFDALDH1A1MAPT
SCHEMBL3771673 0.83 ALDH1A1 (0.46) CXCL8CHRM1AKR1B1CFDPLG
SCHEMBL29465891 0.78 CXCL8 (0.51) CXCL8CHRM1AKR1B1CFDPLG
SCHEMBL4738627 0.77 CES2 (0.56) L3MBTL1TDP1ALDH1A1MAPTCES2
SCHEMBL28368001 0.74 CXCL8 (0.48) CXCL8CHRM1AKR1B1L3MBTL1TDP1
SCHEMBL30478610 0.72 CES2 (0.50) L3MBTL1TDP1ALDH1A1MAPTCES2
SCHEMBL13982035 0.72 CES2 (0.50) L3MBTL1TDP1ALDH1A1MAPTCES2
SCHEMBL3312136 0.72 CES2 (0.50) L3MBTL1TDP1ALDH1A1MAPTCES2
SCHEMBL665971 0.72 CES2 (0.50) L3MBTL1TDP1ALDH1A1MAPTCES2

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-2852374-B1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE/PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE OREAL (FR) 2019-08-21 — — EP claimed
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