SCHEMBL9859934

SCHEMBL9859934

O=C(O)CC(=O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL9859941 1.00 HMGCR (0.38) HMGCRLMNAMEN1MAPTRECQL
SCHEMBL9860005 0.86 HMGCR (0.48) HMGCR
SCHEMBL9860008 0.86 HMGCR (0.48) HMGCR
SCHEMBL9860221 0.74 HMGCR (0.41) HMGCRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL9860226 0.74 HMGCR (0.41) HMGCRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL9860172 0.73 MAPT (0.37) LMNAMEN1MAPTRECQLKMT2A
SCHEMBL9860180 0.73 MAPT (0.37) LMNAMEN1MAPTRECQLKMT2A
SCHEMBL9769870 0.73 HMGCR (0.68) HMGCRALDH1A1
SCHEMBL9769865 0.73 HMGCR (0.68) HMGCRALDH1A1
SCHEMBL9859442 0.73 MAPT (0.40) LMNAMEN1MAPTRECQLKMT2A

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-0430129-A2 Novel phenylethylene derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP disclosed