SCHEMBL8377252

SCHEMBL8377252

CCCCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.39
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
F2 P00734 1/20 0.37
MEN1 O00255 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8377253 1.00 TDP1 (0.41) TDP1ATMCA2GAAMAPT
SCHEMBL7515368 1.00 TDP1 (0.41) TDP1ATMCA2GAAMAPT
SCHEMBL20152463 0.96 TDP1 (0.42) TDP1ATMCA2GAAMAPT
SCHEMBL7508867 0.96 TDP1 (0.42) TDP1ATMCA2GAAMAPT
SCHEMBL8455675 0.96 TDP1 (0.42) TDP1ATMCA2GAAMAPT
SCHEMBL7507918 0.93 MAPT (0.43) TDP1ATMCA2GAAMAPT
SCHEMBL20152452 0.93 MAPT (0.43) TDP1ATMCA2GAAMAPT
SCHEMBL8455047 0.93 MAPT (0.43) TDP1ATMCA2GAAMAPT
SCHEMBL8456381 0.92 ATM (0.41) TDP1ATMCA2MAPTALDH1A1
SCHEMBL7507788 0.92 ATM (0.41) TDP1ATMCA2MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed