SCHEMBL8728306

SCHEMBL8728306

FC=C(F)c1ccc([C@H]2CC[C@H](CBr)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.33
ESR1 P03372 6/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
USP5 P45974 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACMSD Q8TDX5 1/20 0.30
CYP2D6 P10635 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
SCHEMBL8728309 1.00 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9USP5
SCHEMBL8728303 1.00 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9USP5
SCHEMBL8732250 0.89 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9ACMSD
SCHEMBL8732258 0.89 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9ACMSD
SCHEMBL8732254 0.89 ESR2 (0.33) ESR2ESR1CYP3A4CYP2C9ACMSD
SCHEMBL8925406 0.85 ACMSD (0.32) USP5HDAC6ACMSD
SCHEMBL7765169 0.85 ACMSD (0.32) USP5HDAC6ACMSD
SCHEMBL8732575 0.83 ESR2 (0.34) ESR2ESR1CYP3A4CYP2C9ACMSD
SCHEMBL8732580 0.83 ESR2 (0.34) ESR2ESR1CYP3A4CYP2C9ACMSD
SCHEMBL7767250 0.81 CYP2C9 (0.42) ESR2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730901-A Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0742222-A2 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-13 EP disclosed