SCHEMBL20152463

SCHEMBL20152463

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
F2 P00734 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL8455675 1.00 TDP1 (0.42) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL7508867 1.00 TDP1 (0.42) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL7515368 0.96 TDP1 (0.41) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL8377252 0.96 TDP1 (0.41) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL8377253 0.96 TDP1 (0.41) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL7507918 0.96 MAPT (0.43) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL8455047 0.96 MAPT (0.43) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL20152452 0.96 MAPT (0.43) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL10490741 0.91 RARB (0.42) TDP1ATMHTTKMT2ASMN1; SMN2
SCHEMBL14525816 0.90 ATM (0.42) TDP1ATMHTTKMT2ASMN1; SMN2

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