SCHEMBL8448474

SCHEMBL8448474

FCCC=C[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(C(F)F)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.35
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
HDAC2 Q92769 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8448472 1.00 ESR2 (0.35) ESR2CYP2C9ESR1CYP3A4HDAC2
SCHEMBL8448470 1.00 ESR2 (0.35) ESR2CYP2C9ESR1CYP3A4HDAC2
SCHEMBL8448087 0.93 HDAC2 (0.34) HDAC2
SCHEMBL8448095 0.93 HDAC2 (0.34) HDAC2
SCHEMBL8448089 0.93 HDAC2 (0.34) HDAC2
SCHEMBL8448636 0.90 FFAR1 (0.34) HDAC2
SCHEMBL8448632 0.90 FFAR1 (0.34) HDAC2
SCHEMBL8448647 0.90 FFAR1 (0.34) HDAC2
SCHEMBL8448645 0.90 FFAR1 (0.34) HDAC2
SCHEMBL8452418 0.85 ESR2 (0.38) ESR2CYP2C9ESR1CYP3A4HDAC2

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
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