SCHEMBL18265481

SCHEMBL18265481

COc1cc(/C=C/CO)cc(OC)c1OCC=C(C)C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.79
ALOX5 P09917 1/20 0.52
PTGS1 P23219 3/20 0.49
GAA P10253 4/20 0.48
MGAM O43451 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
TRPA1 O75762 1/20 0.48
MTNR1A P48039 1/20 0.48
PTGS2 P35354 2/20 0.47
PTGES O14684 4/20 0.47
HTT P42858 1/20 0.45
TUBB1 Q9H4B7 3/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL21251472 0.92 MAPT (0.68) MAPTALOX5PTGS1GAAMGAM
SCHEMBL18265483 0.83 MTNR1A (0.70) MAPTALOX5PTGS1TRPA1MTNR1A
SCHEMBL21251473 0.82 MAPT (0.62) MAPTALOX5PTGS1TRPA1MTNR1A
SCHEMBL30887916 0.82 CYP1A1 (0.58) MAPTPTGS1GAAHTTTUBB1
SCHEMBL2004805 0.82 CYP1A1 (0.58) MAPTPTGS1GAAHTTTUBB1
SCHEMBL4299632 0.82 CYP1A1 (0.58) MAPTPTGS1GAAHTTTUBB1
SCHEMBL18265491 0.81 TRPA1 (0.71) MAPTALOX5PTGS1GAAMGAM
SCHEMBL18265474 0.78 MAPT (0.51) MAPTALOX5PTGS1GAAMGAM
SCHEMBL18010182 0.78 ALOX5 (0.57) MAPTALOX5GAATRPA1MTNR1A
SCHEMBL16692680 0.78 ALOX5 (0.57) MAPTALOX5GAATRPA1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016193220-A1 SKIN PIGMENTATION MODIFIERS TO DARKEN OR LIGHTEN THE SKIN AFFICHEM (FR) 2016-12-08 WO disclosed
EP-3097904-A1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN Affichem (FR) 2016-11-30 EP disclosed