SCHEMBL1717364

SCHEMBL1717364

CCCCC(=O)Oc1ccc(Cl)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RECQL P46063 2/20 0.42
HTT P42858 2/20 0.42
CHRNA3 P32297 1/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL1999057 0.86 MAPT (0.45) MAPTTP53RECQLHTTKMT2A
SCHEMBL9188821 0.84 CHRNA3 (0.43) HPGDPPARGPPARARECQLHTT
SCHEMBL9188827 0.84 CHRNA3 (0.43) HPGDPPARGPPARARECQLHTT
SCHEMBL31506663 0.83 PPARG (0.46) MAPTPPARGPPARAHTTCHRNA3
SCHEMBL9185233 0.83 CHRNA3 (0.42) HPGDCHRNA3KMT2ASMN1; SMN2MEN1
SCHEMBL9185226 0.83 CHRNA3 (0.42) HPGDCHRNA3KMT2ASMN1; SMN2MEN1
SCHEMBL13274098 0.82 CA2 (0.44) MAPTTP53RECQLHTTKMT2A
SCHEMBL9190127 0.82 CHRNA3 (0.42) HPGDCHRNA3KMT2ASMN1; SMN2MEN1
SCHEMBL9190134 0.82 CHRNA3 (0.42) HPGDCHRNA3KMT2ASMN1; SMN2MEN1
SCHEMBL9186577 0.82 CHRNA3 (0.42) HPGDCHRNA3KMT2ASMN1; SMN2MEN1

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
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed