SCHEMBL18265474

SCHEMBL18265474

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
MGAM O43451 4/20 0.49
GAA P10253 4/20 0.49
SI P14410 4/20 0.49
MGAM2 Q2M2H8 4/20 0.49
PTGS2 P35354 3/20 0.48
PTGS1 P23219 2/20 0.48
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL9709192 0.81 HSD17B10 (0.50) MAPTMGAMGAASIMGAM2
SCHEMBL18265481 0.78 MAPT (0.79) MAPTMGAMGAASIMGAM2
SCHEMBL6654614 0.78 TPMT (0.53) MAPTMGAMGAASIMGAM2
SCHEMBL8965944 0.77 HTR2A (0.62) MAPTPTGS2HSD17B10CYP2D6TDP1
SCHEMBL23580897 0.77 MGAM (0.40) MGAMGAASIMGAM2KDM4E
SCHEMBL1122521 0.76 PTGS2 (0.64) MAPTPTGS2HSD17B10CYP3A4ALOX15
SCHEMBL2744248 0.75 TSHR (0.50) MAPTPTGS2HSD17B10ALOX15TSHR
SCHEMBL8846485 0.75 TRPA1 (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL18265491 0.74 TRPA1 (0.71) MAPTMGAMGAASIMGAM2
SCHEMBL19632491 0.72 ALOX15 (0.48) PTGS2HSD17B10ALOX15TSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
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