SCHEMBL9700205

SCHEMBL9700205

Cc1cccc(F)c1C(=O)OC(=O)c1c(C)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KMT2A Q03164 4/20 0.44
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KRAS P01116 1/20 0.40
HTT P42858 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
LMNA P02545 2/20 0.39
IL2 P60568 1/20 0.39
HDAC4 P56524 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9700215 0.90 TSHR (0.43) CES2CES1KMT2AACHETDP1
SCHEMBL8056782 0.86 CA12 (0.53) CES2CES1KMT2AACHEKRAS
SCHEMBL30632216 0.86 CA12 (0.53) CES2CES1KMT2AACHEKRAS
SCHEMBL9701350 0.85 CES2 (0.61) CES2CES1KMT2ATDP1HTT
SCHEMBL6113403 0.85 CA12 (0.43) TDP1
SCHEMBL28391542 0.83 CA12 (0.59) CES2CES1KMT2ATDP1RAB9A
SCHEMBL18131333 0.82 CES2 (0.44) CES2CES1KMT2AACHETDP1
SCHEMBL12160758 0.79 CES2 (0.54) CES2CES1KMT2AACHETDP1
SCHEMBL31459315 0.79 CES2 (0.54) CES2CES1KMT2AACHETDP1
SCHEMBL544028 0.79 CES2 (0.54) CES2CES1KMT2AACHETDP1

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-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed