SCHEMBL4755033

SCHEMBL4755033

COCCc1c(C=O)cc(C(=O)O)c(O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 12/20 0.40
HCAR2 Q8TDS4 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL4757842 0.87 MAPT (0.42) MAPTTDP1ERN1CA1CA2
SCHEMBL4755647 0.86 HCAR2 (0.38) TDP1ERN1HCAR2
SCHEMBL4755047 0.86 MAPT (0.43) MAPTTDP1ERN1CA1CA2
SCHEMBL4756893 0.78 TDP1 (0.46) MAPTTDP1ERN1CA1CA2
SCHEMBL9687459 0.72 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL9688193 0.72 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
Potassium Ion SCHEMBL9686356 0.72 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL9687013 0.72 ERN1 (0.38) MAPTTDP1ERN1CA1CA2
SCHEMBL4755673 0.71 HCAR2 (0.39) ERN1HCAR2HSD17B10PTPN2PTPN1
SCHEMBL4757726 0.69 HMGB1 (0.40) MAPTTDP1ERN1HSD17B10PTPN2

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
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed