SCHEMBL4715093

SCHEMBL4715093

CC(=O)Oc1ccccc1/C=C\C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 4/20 0.56
PTGER1 P34995 1/20 0.55
PTGER4 P35408 1/20 0.55
PTGER3 P43115 1/20 0.55
PTGER2 P43116 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
NFE2L2 Q16236 2/20 0.53
TFEB P19484 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HSP90AA1 P07900 1/20 0.52
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL1711263 1.00 HTT (0.63) HTTGAASMN1; SMN2KDM4EPTGER1
SCHEMBL1711265 1.00 HTT (0.63) HTTGAASMN1; SMN2KDM4EPTGER1
SCHEMBL13036867 0.88 NFE2L2 (0.69) HTTKDM4EMEN1KMT2ANFKB1
SCHEMBL20110943 0.88 KDM4E (0.72) HTTKDM4EMEN1KMT2ANFE2L2
SCHEMBL1603612 0.87 MEN1 (0.60) SMN1; SMN2KDM4EMEN1KMT2ANFKB1
SCHEMBL16498326 0.85 MAPT (0.72) HTTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL16498329 0.85 MAPT (0.72) HTTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL17305571 0.85 KDM4E (0.54) HTTGAAKDM4EMEN1KMT2A
SCHEMBL4712845 0.85 KDM4E (0.54) HTTGAASMN1; SMN2KDM4EMEN1
SCHEMBL18121457 0.85 KDM4E (0.54) HTTGAAKDM4EMEN1KMT2A

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-1054004-B1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-07-16 EP disclosed
US-6432963-B1 ANTIINFLAMMATORY AGENTS; TYROSINE KINASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-08-13 US disclosed
EP-1054004-A1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-11-22 EP disclosed