SCHEMBL7766286

SCHEMBL7766286

FC(F)(F)c1ccc(CCCCC2CCC(Br)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
TAAR1 Q96RJ0 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
GAA P10253 1/20 0.41
TEAD1 P28347 2/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
FDFT1 P37268 2/20 0.38
LSS P48449 2/20 0.38
NAAA Q02083 1/20 0.38
MIF P14174 1/20 0.37

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
SCHEMBL24258335 0.92 MAOB (0.50) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL24258422 0.90 MAOB (0.49) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9192348 0.84 MAOB (0.45) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9192351 0.84 MAOB (0.45) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL7767963 0.84 MAOB (0.42) MAOBTAAR1GAA
SCHEMBL7766068 0.81 MAOB (0.42) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9398343 0.81 MAOB (0.42) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9191043 0.81 HDAC1 (0.43) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9191041 0.81 HDAC1 (0.43) MAOBTAAR1HDAC1HDAC8GAA
SCHEMBL9398346 0.81 HDAC1 (0.43) MAOBTAAR1HDAC1HDAC8GAA

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