SCHEMBL9255285

SCHEMBL9255285

C=CCC[C@H]1CC[C@H](C2CCC(COc3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 2/20 0.41
FFAR4 Q5NUL3 1/20 0.38
SCN9A Q15858 2/20 0.38
TRPV4 Q9HBA0 1/20 0.37
PDK2 Q15119 1/20 0.37
FFAR1 O14842 2/20 0.35
PPARD Q03181 2/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9255294 1.00 PARP10 (0.41) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255303 1.00 PARP10 (0.41) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9245992 0.93 PARP10 (0.40) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9245972 0.93 PARP10 (0.40) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9245981 0.93 PARP10 (0.40) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255422 0.89 TRPV4 (0.39) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255284 0.89 TRPV4 (0.39) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255417 0.89 TRPV4 (0.39) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255271 0.89 TRPV4 (0.39) PARP10PARP15FFAR4SCN9ATRPV4
SCHEMBL9255409 0.89 TRPV4 (0.39) PARP10PARP15FFAR4SCN9ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0315014-B1 Halogenated benzene derivatives HOFFMANN LA ROCHE (CH) 1994-01-12 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
EP-0315014-A2 Halogenated benzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed