SCHEMBL7757080

SCHEMBL7757080

CCC[Si@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
IDO1 P14902 1/20 0.34
CCR1 P32246 1/20 0.34
DRD2 P14416 2/20 0.33
ADRA1A P35348 2/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
USP5 P45974 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 2/20 0.33
MCHR1 Q99705 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GBA1 P04062 2/20 0.32

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
SCHEMBL7757075 1.00 MAPT (0.37) MAPTALDH1A1SMN1; SMN2CYP2C9MAOA
SCHEMBL7754700 0.94 CCR1 (0.36) MAPTALDH1A1SMN1; SMN2CYP2C9MAOA
SCHEMBL7754695 0.94 CCR1 (0.36) MAPTALDH1A1SMN1; SMN2CYP2C9MAOA
SCHEMBL7751103 0.88 TRPC3 (0.34) MAPTALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL7751107 0.88 TRPC3 (0.34) MAPTALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL7757066 0.88 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2CYP2C9DRD2
SCHEMBL7757062 0.88 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2CYP2C9DRD2
SCHEMBL7757052 0.86 CCR1 (0.35) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL7757056 0.86 CCR1 (0.35) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL7754681 0.85 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2CYP2C9IDO1

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-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed