SCHEMBL3950873

SCHEMBL3950873

CCCCCCc1ccc(O)cc1OC(=O)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.57
CNR1 P21554 8/20 0.57
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
MAPT P10636 1/20 0.51
TYR P14679 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 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
SCHEMBL3946747 0.91 CNR2 (0.67) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL3034727 0.84 CNR2 (0.57) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL3948637 0.84 CNR2 (0.60) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL28245769 0.83 THRA (0.61) TSHRMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL4113024 0.82 CNR2 (0.72) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL3030328 0.82 CNR2 (0.55) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL4115449 0.82 CNR2 (0.72) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL4108174 0.82 CNR2 (0.72) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL3948574 0.82 TSHR (0.55) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL28245759 0.82 THRA (0.60) TSHRMEN1KMT2ACYSLTR2CYSLTR1

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
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO claimed
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO disclosed
WO-2009021590-A1 TYROSINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-02-19 WO disclosed