SCHEMBL2390113

SCHEMBL2390113

CCc1c(/C=C/C(=O)O)cccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
PTGER4 P35408 3/20 0.40
PTGER3 P43115 3/20 0.40
PTGER2 P43116 3/20 0.40
PTGER1 P34995 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
DRD2 P14416 3/20 0.38
HTR1D P28221 2/20 0.36
DRD3 P35462 2/20 0.36
NFE2L2 Q16236 2/20 0.36

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
SCHEMBL2391355 0.83 PLA2G1B (0.34) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL6023587 0.83 HTT (0.56) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL9518819 0.76 NFKB1 (0.50) KDM4EPTGER4PTGER3PTGER2PTGER1
SCHEMBL9447846 0.75 NFKB1 (0.61) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL2131313 0.74 DRD2 (0.41) DRD2HTR1DDRD3
SCHEMBL6317948 0.71 PLA2G1B (0.39) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL6317945 0.71 PLA2G1B (0.39) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL2865033 0.71 CA1 (0.47) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL6855197 0.71 CA1 (0.47) KDM4EHTTPTGER4PTGER3PTGER2
SCHEMBL15950027 0.71 CA1 (0.46) KDM4EHTTPTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed