SCHEMBL9133112

SCHEMBL9133112

O=C(O)/C=C/C1CCCCCCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL1151112 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL17263955 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL221714 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL11845850 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9063561 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL4599663 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL23749603 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL1151110 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9743609 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL15290579 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015175788-A1 1-((3S,4R)-4-(3-FLUOROPHENYL)-1-(2-METHOXYETHYL)PYRROLIDIN-3-YL)-3-(4-METHYL-3-(2-METHYLPYRIMIDIN-5-YL)-1-PHENYL-1H-PYRAZOL-5-YL)UREA AS A TRKA KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2015-11-19 WO disclosed
US-5468774-A Antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-21 US disclosed
US-5420153-A Antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-30 US disclosed
US-5366993-A Antiinflammatory, antifertility AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-22 US disclosed
WO-1993022305-A1 TETRONIC, THIOTETRONIC AND TETRAMIC ACID DERIVATIVES AS PHOSPHOLIPASE A2 INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-11-11 WO disclosed