SCHEMBL20152452

SCHEMBL20152452

CCCC[C@H]1CC[C@@H](C(=O)Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 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
SCHEMBL7507918 1.00 MAPT (0.43) MAPTGAAATMTDP1KMT2A
SCHEMBL8455047 1.00 MAPT (0.43) MAPTGAAATMTDP1KMT2A
SCHEMBL8455675 0.96 TDP1 (0.42) MAPTGAAATMTDP1KMT2A
SCHEMBL7508867 0.96 TDP1 (0.42) MAPTGAAATMTDP1KMT2A
SCHEMBL20152463 0.96 TDP1 (0.42) MAPTGAAATMTDP1KMT2A
SCHEMBL7515368 0.93 TDP1 (0.41) MAPTGAAATMTDP1KMT2A
SCHEMBL8377252 0.93 TDP1 (0.41) MAPTGAAATMTDP1KMT2A
SCHEMBL8377253 0.93 TDP1 (0.41) MAPTGAAATMTDP1KMT2A
SCHEMBL14525816 0.91 ATM (0.42) MAPTATMTDP1KMT2AHTT
SCHEMBL7507788 0.89 ATM (0.41) MAPTATMTDP1KMT2AHTT

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-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed