SCHEMBL10554121

SCHEMBL10554121

CCCCCCCCCCCCCCCCCCC(COCC(O)COCCOCCO)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 2/20 0.50
LPAR1 Q92633 5/20 0.43
LPAR3 Q9UBY5 5/20 0.43
LPAR5 Q9H1C0 4/20 0.43
LPAR6 P43657 3/20 0.43
LPAR4 Q99677 3/20 0.43
LPAR2 Q9HBW0 3/20 0.43
TSHR P16473 1/20 0.43
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 1/20 0.41

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
SCHEMBL10554878 0.94 MEN1 (0.55) HTTMEN1KMT2ATHRBMAPT
SCHEMBL29091228 0.91 HTT (0.52) HTTMEN1KMT2ATHRBMAPT
SCHEMBL404985 0.91 HTT (0.52) HTTMEN1KMT2ATHRBMAPT
SCHEMBL10649572 0.89 USP2 (0.65) HTTMEN1KMT2ATHRBMAPT
SCHEMBL14922021 0.87 USP2 (0.51) HTTUSP2LPAR1LPAR3LPAR5
SCHEMBL27804871 0.87 TSHR (0.52) HTTMEN1KMT2ATHRBMAPT
SCHEMBL1882441 0.85 HTT (0.60) HTTMEN1KMT2ATHRBMAPT
SCHEMBL5489968 0.85 HTT (0.60) HTTMEN1KMT2ATHRBMAPT
SCHEMBL10993374 0.85 HTT (0.60) HTTMEN1KMT2ATHRBMAPT
SCHEMBL18628322 0.85 HTT (0.60) HTTMEN1KMT2ATHRBMAPT

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
US-4889953-A ANTITUMOR AND -CARCINOGENIC AGENTS; PLATELET ACTIVATING FACTOR ANTAGONIST; CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0254540-A2 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-27 EP disclosed