SCHEMBL7765169

SCHEMBL7765169

FC=C(F)c1ccc(C2CCC(Br)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.32
QDPR P09417 1/20 0.31
KDM1A O60341 2/20 0.30
KCNH2 Q12809 2/20 0.30
KDM1B Q8NB78 1/20 0.30
USP5 P45974 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8925406 1.00 ACMSD (0.32) ACMSDQDPRKDM1AKCNH2KDM1B
SCHEMBL8728306 0.85 ESR2 (0.33) ACMSDUSP5HDAC6
SCHEMBL8728303 0.85 ESR2 (0.33) ACMSDUSP5HDAC6
SCHEMBL8728309 0.85 ESR2 (0.33) ACMSDUSP5HDAC6
SCHEMBL7767252 0.77 CYP2C9 (0.42)
SCHEMBL7767255 0.77 CYP2C9 (0.42)
SCHEMBL7767250 0.77 CYP2C9 (0.42)
SCHEMBL7767257 0.77 CYP2C9 (0.42)
SCHEMBL7762634 0.76 HTR2A (0.40) KDM1AKCNH2KDM1BUSP5HDAC6
SCHEMBL8732254 0.73 ESR2 (0.33) ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed