SCHEMBL8451674

SCHEMBL8451674

O=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HCRTR2 O43614 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 2/20 0.33
GRIA4 P48058 1/20 0.33
MAOB P27338 1/20 0.33
CCR2 P41597 1/20 0.32
SCD5 Q86SK9 1/20 0.32
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL2272516 1.00 USP5 (0.37) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL2272522 1.00 USP5 (0.37) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL2272518 1.00 USP5 (0.37) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL4931479 0.95 USP30 (0.38) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL4931475 0.95 USP30 (0.38) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL8025035 0.88 P2RY14 (0.37) KDM1A
SCHEMBL8517432 0.86 USP30 (0.39) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL4331525 0.86 SLC6A3 (0.36) HDAC6
SCHEMBL6456214 0.86 HTR2A (0.35) USP5HDAC6USP30HCRTR2HTR2A
SCHEMBL4331520 0.86 SLC6A3 (0.36) HDAC6

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
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed